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

C15H11BrN2O4 — CID 154294661

IUPACN-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide
SMILESCC(=O)N(Br)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1
InChIInChI=1S/C15H11BrN2O4/c1-10(19)17(16)14-8-7-12(18(21)22)9-13(14)15(20)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyZZXSBCHIDPUHNY-UHFFFAOYSA-N
MW363.17 g/mol
LogP3.49
Rot. Bonds4

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

N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide (PubChem CID 154294661) has the molecular formula C15H11BrN2O4 and a molecular weight of 363.17 g/mol. Its IUPAC name is N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide
PubChem CID154294661
Molecular FormulaC15H11BrN2O4
Molecular Weight363.17 g/mol
Exact Mass361.99
IUPAC NameN-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide
SMILESCC(=O)N(Br)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1
InChIInChI=1S/C15H11BrN2O4/c1-10(19)17(16)14-8-7-12(18(21)22)9-13(14)15(20)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyZZXSBCHIDPUHNY-UHFFFAOYSA-N
XLogP3.49
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide
CID 154157817
N-(2-benzoyl-4-nitrophenyl)-2-bromo-N-carbamoylacetamide
CID 71396931
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
methyl 2-(2-benzoyl-4-nitrophenyl)acetate
CID 58437932
N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide
CID 154108561
bis(2-benzoyl-5-nitrobenzaldehyde);oxalic acid
CID 174955063
[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone
CID 168528552
[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone
CID 174903264
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
N-(3-benzoyl-2-chloro-5-nitrophenyl)acetamide
CID 154114090
diphenylmethanone;1-methyl-4-nitrobenzene
CID 160968328

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide?
The IUPAC name of N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide (CID 154294661) is N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide.
What is the SMILES notation for N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide?
The canonical SMILES for N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide is CC(=O)N(Br)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide?
The InChIKey is ZZXSBCHIDPUHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O4/c1-10(19)17(16)14-8-7-12(18(21)22)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-nitrophenyl)-N-bromoacetamide?
N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide has a molecular weight of 363.17 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide is sourced from PubChem (CID 154294661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).