3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide

C22H19ClN2O2 — CID 1234677

IUPAC3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C22H19ClN2O2/c1-15-4-2-6-19(12-15)25-22(27)17-5-3-7-20(14-17)24-21(26)13-16-8-10-18(23)11-9-16/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyBQBYGZJTEUIWKH-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.08
Rot. Bonds5

About 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide

3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 1234677) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID1234677
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C22H19ClN2O2/c1-15-4-2-6-19(12-15)25-22(27)17-5-3-7-20(14-17)24-21(26)13-16-8-10-18(23)11-9-16/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyBQBYGZJTEUIWKH-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707
3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197433
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877795

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide (CID 1234677) is 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is BQBYGZJTEUIWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-15-4-2-6-19(12-15)25-22(27)17-5-3-7-20(14-17)24-21(26)13-16-8-10-18(23)11-9-16/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide?
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 378.86 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 1234677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).