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101966-78-3 | 2-Propenoic acid, 2-[(3-chlorobenzoyl)amino]-3-(1H-indol-3-yl)-
CAS No: 101966-78-3 Catalog No: AG000645 MDL No:
Product Description
Catalog Number:
AG000645
Chemical Name:
2-Propenoic acid, 2-[(3-chlorobenzoyl)amino]-3-(1H-indol-3-yl)-
CAS Number:
101966-78-3
Molecular Formula:
C18H13ClN2O3
Molecular Weight:
340.7604
IUPAC Name:
2-[(3-chlorobenzoyl)amino]-3-(1H-indol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C18H13ClN2O3/c19-13-5-3-4-11(8-13)17(22)21-16(18(23)24)9-12-10-20-15-7-2-1-6-14(12)15/h1-10,20H,(H,21,22)(H,23,24)
InChI Key:
FXAPIYFCPDBERV-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)NC(=Cc1c[nH]c2c1cccc2)C(=O)O
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.061g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.763g/mol
Monoisotopic Mass:
340.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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