N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide

C15H11BrClNO2 — CID 154233494

IUPACN-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide
SMILESO=C(CBr)Nc1c(Cl)cccc1C(=O)c1ccccc1
InChIInChI=1S/C15H11BrClNO2/c16-9-13(19)18-14-11(7-4-8-12(14)17)15(20)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19)
InChIKeyDTCFEQWHTFGPHI-UHFFFAOYSA-N
MW352.62 g/mol
LogP3.90
Rot. Bonds4

About N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide

N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide (PubChem CID 154233494) has the molecular formula C15H11BrClNO2 and a molecular weight of 352.62 g/mol. Its IUPAC name is N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide
PubChem CID154233494
Molecular FormulaC15H11BrClNO2
Molecular Weight352.62 g/mol
Exact Mass350.97
IUPAC NameN-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide
SMILESO=C(CBr)Nc1c(Cl)cccc1C(=O)c1ccccc1
InChIInChI=1S/C15H11BrClNO2/c16-9-13(19)18-14-11(7-4-8-12(14)17)15(20)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19)
InChIKeyDTCFEQWHTFGPHI-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoyl-6-nitrophenyl)-2-bromoacetamide
CID 154119488
2-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylic acid
CID 21152114
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
2-(3-carboxypropanoylamino)-3-chlorobenzoic acid
CID 110465790
N-(2-benzoylphenyl)-2-(2-chlorophenyl)acetamide
CID 100633810
2-bromo-N-[2-(3-bromobenzoyl)phenyl]acetamide
CID 150212976
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide
CID 139882137
N-(2-bromo-6-chlorophenyl)benzamide
CID 13226852
2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 63646991
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
2-[3-chloro-2-[(2-methoxyacetyl)amino]phenyl]-2-oxoacetic acid
CID 13271051

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide?
The IUPAC name of N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide (CID 154233494) is N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide.
What is the SMILES notation for N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide?
The canonical SMILES for N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide is O=C(CBr)Nc1c(Cl)cccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide?
The InChIKey is DTCFEQWHTFGPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO2/c16-9-13(19)18-14-11(7-4-8-12(14)17)15(20)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19).
What are the key properties of N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide?
N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide has a molecular weight of 352.62 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-chlorophenyl)-2-bromoacetamide is sourced from PubChem (CID 154233494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).