N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide

C16H14BrNO2 — CID 107981614

IUPACN-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)c2cccc(C)c2Br)cc1
InChIInChI=1S/C16H14BrNO2/c1-10-4-3-5-14(15(10)17)16(20)12-6-8-13(9-7-12)18-11(2)19/h3-9H,1-2H3,(H,18,19)
InChIKeyWOMWFZZRROYPML-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.95
Rot. Bonds3

About N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide

N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide (PubChem CID 107981614) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide
PubChem CID107981614
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC NameN-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)c2cccc(C)c2Br)cc1
InChIInChI=1S/C16H14BrNO2/c1-10-4-3-5-14(15(10)17)16(20)12-6-8-13(9-7-12)18-11(2)19/h3-9H,1-2H3,(H,18,19)
InChIKeyWOMWFZZRROYPML-UHFFFAOYSA-N
XLogP3.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone
CID 114024133
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
N-[4-(2-fluorobenzoyl)phenyl]acetamide
CID 43337973
N-[4-(3-bromobenzoyl)phenyl]acetamide
CID 43337929
N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide
CID 82883579
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
CID 107984562
5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107981626
2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 103853348
2-bromo-N-[4-(2-chloroethyl)phenyl]-3-methylbenzamide
CID 107983954
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
1-(2-bromo-3-methylphenyl)-2-methylprop-2-en-1-one
CID 107984545

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide (CID 107981614) is N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)c2cccc(C)c2Br)cc1.
What is the InChIKey of N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide?
The InChIKey is WOMWFZZRROYPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-10-4-3-5-14(15(10)17)16(20)12-6-8-13(9-7-12)18-11(2)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide?
N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide has a molecular weight of 332.20 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide is sourced from PubChem (CID 107981614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).