N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane

C29H29ClN2O2 — CID 142005093

IUPACN-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane
SMILESCC.CC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1.Cc1ccc(Cl)cn1
InChIInChI=1S/C21H17NO2.C6H6ClN.C2H6/c1-15(23)19-9-5-6-10-20(19)22-21(24)18-13-11-17(12-14-18)16-7-3-2-4-8-16;1-5-2-3-6(7)4-8-5;1-2/h2-14H,1H3,(H,22,24);2-4H,1H3;1-2H3
InChIKeyMLCNAGSXHSCADK-UHFFFAOYSA-N
MW473.02 g/mol
LogP7.88
Rot. Bonds4

About N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane

N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane (PubChem CID 142005093) has the molecular formula C29H29ClN2O2 and a molecular weight of 473.02 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane
PubChem CID142005093
Molecular FormulaC29H29ClN2O2
Molecular Weight473.02 g/mol
Exact Mass472.19
IUPAC NameN-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane
SMILESCC.CC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1.Cc1ccc(Cl)cn1
InChIInChI=1S/C21H17NO2.C6H6ClN.C2H6/c1-15(23)19-9-5-6-10-20(19)22-21(24)18-13-11-17(12-14-18)16-7-3-2-4-8-16;1-5-2-3-6(7)4-8-5;1-2/h2-14H,1H3,(H,22,24);2-4H,1H3;1-2H3
InChIKeyMLCNAGSXHSCADK-UHFFFAOYSA-N
XLogP7.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.02
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
CID 59089747
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243
2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
N-(3,4-dimethylphenyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 4944335
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456
N-ethyl-2-[(4-phenylbenzoyl)amino]benzamide
CID 4949283
N-(2-acetylphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 112760957
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane?
The IUPAC name of N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane (CID 142005093) is N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane.
What is the SMILES notation for N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane?
The canonical SMILES for N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane is CC.CC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1.Cc1ccc(Cl)cn1.
What is the InChIKey of N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane?
The InChIKey is MLCNAGSXHSCADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2.C6H6ClN.C2H6/c1-15(23)19-9-5-6-10-20(19)22-21(24)18-13-11-17(12-14-18)16-7-3-2-4-8-16;1-5-2-3-6(7)4-8-5;1-2/h2-14H,1H3,(H,22,24);2-4H,1H3;1-2H3.
What are the key properties of N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane?
N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane has a molecular weight of 473.02 g/mol, XLogP of 7.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane is sourced from PubChem (CID 142005093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).