N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide

C16H14ClNO2 — CID 82883579

IUPACN-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C16H14ClNO2/c1-10-3-6-13(17)9-15(10)16(20)12-4-7-14(8-5-12)18-11(2)19/h3-9H,1-2H3,(H,18,19)
InChIKeyPUFHGKDVFJXRRP-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.84
Rot. Bonds3

About N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide

N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide (PubChem CID 82883579) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide
PubChem CID82883579
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C16H14ClNO2/c1-10-3-6-13(17)9-15(10)16(20)12-4-7-14(8-5-12)18-11(2)19/h3-9H,1-2H3,(H,18,19)
InChIKeyPUFHGKDVFJXRRP-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 82870554
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
N-[4-(2-fluorobenzoyl)phenyl]acetamide
CID 43337973
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
1-(2-benzoyl-4-chlorophenyl)-3-(4-methylphenyl)thiourea
CID 100639453
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
N-[3-[(4-chloro-2-methylphenyl)carbamothioylamino]-4-methylphenyl]acetamide
CID 2796884
5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide
CID 3286740
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide?
The IUPAC name of N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide (CID 82883579) is N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide?
The InChIKey is PUFHGKDVFJXRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-10-3-6-13(17)9-15(10)16(20)12-4-7-14(8-5-12)18-11(2)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide?
N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide has a molecular weight of 287.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide is sourced from PubChem (CID 82883579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).