N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide

C23H17ClN2O — CID 46389949

IUPACN-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
SMILESO=C(NCc1ccccc1Cl)c1cccc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C23H17ClN2O/c24-21-10-3-1-7-19(21)14-26-23(27)18-9-5-8-16(12-18)20-13-17-6-2-4-11-22(17)25-15-20/h1-13,15H,14H2,(H,26,27)
InChIKeyUJLNGZOMDQHEHK-UHFFFAOYSA-N
MW372.86 g/mol
LogP5.49
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide

N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide (PubChem CID 46389949) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
PubChem CID46389949
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
SMILESO=C(NCc1ccccc1Cl)c1cccc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C23H17ClN2O/c24-21-10-3-1-7-19(21)14-26-23(27)18-9-5-8-16(12-18)20-13-17-6-2-4-11-22(17)25-15-20/h1-13,15H,14H2,(H,26,27)
InChIKeyUJLNGZOMDQHEHK-UHFFFAOYSA-N
XLogP5.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108739
N-[[4-(diethylamino)phenyl]methyl]-3-quinolin-3-ylbenzamide
CID 46389962
N-[(2-chlorophenyl)methyl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826639
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
3-(2-amino-2-oxoethoxy)-N-[(2-chlorophenyl)methyl]benzamide
CID 35558245
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054733
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17194215

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide (CID 46389949) is N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide is O=C(NCc1ccccc1Cl)c1cccc(-c2cnc3ccccc3c2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide?
The InChIKey is UJLNGZOMDQHEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O/c24-21-10-3-1-7-19(21)14-26-23(27)18-9-5-8-16(12-18)20-13-17-6-2-4-11-22(17)25-15-20/h1-13,15H,14H2,(H,26,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide?
N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide has a molecular weight of 372.86 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide is sourced from PubChem (CID 46389949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).