N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide

C15H11BrClNO2 — CID 154157817

IUPACN-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide
SMILESCC(=O)N(Br)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H11BrClNO2/c1-10(19)18(16)14-8-7-12(17)9-13(14)15(20)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDUEUFPDRUKOIAZ-UHFFFAOYSA-N
MW352.62 g/mol
LogP4.23
Rot. Bonds3

About N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide

N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide (PubChem CID 154157817) has the molecular formula C15H11BrClNO2 and a molecular weight of 352.62 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide
PubChem CID154157817
Molecular FormulaC15H11BrClNO2
Molecular Weight352.62 g/mol
Exact Mass350.97
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide
SMILESCC(=O)N(Br)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H11BrClNO2/c1-10(19)18(16)14-8-7-12(17)9-13(14)15(20)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDUEUFPDRUKOIAZ-UHFFFAOYSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-N-chloroacetamide
CID 139392236
N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide
CID 154294661
2-amino-N-[2-(2-benzoyl-4-chloro-N-propan-2-ylanilino)acetyl]acetamide
CID 3057617
2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]acetamide;hydrobromide
CID 70561655
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(2S)-2-amino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)acetyl]-3-phenylpropanamide
CID 3042184
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide (CID 154157817) is N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide is CC(=O)N(Br)c1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide?
The InChIKey is DUEUFPDRUKOIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO2/c1-10(19)18(16)14-8-7-12(17)9-13(14)15(20)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide?
N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide has a molecular weight of 352.62 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide is sourced from PubChem (CID 154157817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).