4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide

C26H21ClN2O — CID 58791112

IUPAC4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C26H21ClN2O/c27-25-11-10-23(26(30)29-17-14-19-12-15-28-16-13-19)18-24(25)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-13,15-16,18H,14,17H2,(H,29,30)
InChIKeyZWDBDVLVYLOGEV-UHFFFAOYSA-N
MW412.92 g/mol
LogP6.04
Rot. Bonds6

About 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide

4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 58791112) has the molecular formula C26H21ClN2O and a molecular weight of 412.92 g/mol. Its IUPAC name is 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID58791112
Molecular FormulaC26H21ClN2O
Molecular Weight412.92 g/mol
Exact Mass412.13
IUPAC Name4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C26H21ClN2O/c27-25-11-10-23(26(30)29-17-14-19-12-15-28-16-13-19)18-24(25)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-13,15-16,18H,14,17H2,(H,29,30)
InChIKeyZWDBDVLVYLOGEV-UHFFFAOYSA-N
XLogP6.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide
CID 143191288
2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium
CID 68551333
4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
CID 11523880
N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide
CID 154832803
4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 58791104
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
4,5-dichloro-2-(2-pyridin-4-ylethylcarbamoyl)benzoic acid
CID 1089157
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 70709024
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide (CID 58791112) is 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide is O=C(NCCc1ccncc1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is ZWDBDVLVYLOGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O/c27-25-11-10-23(26(30)29-17-14-19-12-15-28-16-13-19)18-24(25)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-13,15-16,18H,14,17H2,(H,29,30).
What are the key properties of 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide?
4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 412.92 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 58791112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).