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97807-23-3 | 1-METHYL-3-(N-(4-IODOPHENYLETHYL)CARBAMOYL)-1,4-DIHYDROPYRIDINE
CAS No: 97807-23-3 Catalog No: AG00H7EK MDL No:
Product Description
Catalog Number:
AG00H7EK
Chemical Name:
1-METHYL-3-(N-(4-IODOPHENYLETHYL)CARBAMOYL)-1,4-DIHYDROPYRIDINE
CAS Number:
97807-23-3
Molecular Formula:
C15H17IN2O
Molecular Weight:
368.2128
IUPAC Name:
N-[1-(4-iodophenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C15H17IN2O/c1-11(12-5-7-14(16)8-6-12)17-15(19)13-4-3-9-18(2)10-13/h3,5-11H,4H2,1-2H3,(H,17,19)
InChI Key:
LIQVHWRRLCFJFR-UHFFFAOYSA-N
SMILES:
CN1C=CCC(=C1)C(=O)NCCc1ccc(cc1)I
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.218g/mol
Monoisotopic Mass:
368.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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