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88314-27-6 | Butanamide, N-[3-[(3-chloro-2-propenyl)(2-cyanoethyl)amino]phenyl]-
CAS No: 88314-27-6 Catalog No: AG0048H9 MDL No:
Product Description
Catalog Number:
AG0048H9
Chemical Name:
Butanamide, N-[3-[(3-chloro-2-propenyl)(2-cyanoethyl)amino]phenyl]-
CAS Number:
88314-27-6
Molecular Formula:
C16H20ClN3O
Molecular Weight:
305.8025
IUPAC Name:
N-[3-[3-chloroprop-2-enyl(2-cyanoethyl)amino]phenyl]butanamide
InChI:
InChI=1S/C16H20ClN3O/c1-2-6-16(21)19-14-7-3-8-15(13-14)20(11-4-9-17)12-5-10-18/h3-4,7-9,13H,2,5-6,11-12H2,1H3,(H,19,21)
InChI Key:
UETVUNPNRGPIBD-UHFFFAOYSA-N
SMILES:
ClC=CCN(c1cccc(c1)NC(=O)CCC)CCC#N
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.129g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.806g/mol
Monoisotopic Mass:
305.129g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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