N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide

C20H15ClN2O — CID 66870112

IUPACN-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide
SMILESC=C(c1cccc(C(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1
InChIInChI=1S/C20H15ClN2O/c1-14(19-7-2-3-12-22-19)15-5-4-6-16(13-15)20(24)23-18-10-8-17(21)9-11-18/h2-13H,1H2,(H,23,24)
InChIKeyXOYAQQNVLWRTQN-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.05
Rot. Bonds4

About N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide

N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide (PubChem CID 66870112) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide
PubChem CID66870112
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC NameN-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide
SMILESC=C(c1cccc(C(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1
InChIInChI=1S/C20H15ClN2O/c1-14(19-7-2-3-12-22-19)15-5-4-6-16(13-15)20(24)23-18-10-8-17(21)9-11-18/h2-13H,1H2,(H,23,24)
InChIKeyXOYAQQNVLWRTQN-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
[3-[[4-(pyridine-2-carbonylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927700
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene
CID 23320864
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide (CID 66870112) is N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide is C=C(c1cccc(C(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1.
What is the InChIKey of N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide?
The InChIKey is XOYAQQNVLWRTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-14(19-7-2-3-12-22-19)15-5-4-6-16(13-15)20(24)23-18-10-8-17(21)9-11-18/h2-13H,1H2,(H,23,24).
What are the key properties of N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide?
N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide has a molecular weight of 334.81 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide is sourced from PubChem (CID 66870112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).