4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide

C15H13Br2NO — CID 114315538

IUPAC4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
SMILESCC(Br)c1ccccc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2NO/c1-10(16)13-4-2-3-5-14(13)18-15(19)11-6-8-12(17)9-7-11/h2-10H,1H3,(H,18,19)
InChIKeyXSWLVZPFBFWAEN-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.16
Rot. Bonds3

About 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide

4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide (PubChem CID 114315538) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
PubChem CID114315538
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
SMILESCC(Br)c1ccccc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2NO/c1-10(16)13-4-2-3-5-14(13)18-15(19)11-6-8-12(17)9-7-11/h2-10H,1H3,(H,18,19)
InChIKeyXSWLVZPFBFWAEN-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide 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

3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561
4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315530
N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide
CID 114315425
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114315591
N-(2-propan-2-ylphenyl)benzamide
CID 723391
4-bromo-N-[2-[(2-methylpropanoylamino)carbamoyl]phenyl]benzamide
CID 126011313
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
4-bromo-N-[2-(dimethylamino)phenyl]benzamide
CID 30875552
N-[2-(1-bromoethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114315452
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide (CID 114315538) is 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide is CC(Br)c1ccccc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide?
The InChIKey is XSWLVZPFBFWAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-10(16)13-4-2-3-5-14(13)18-15(19)11-6-8-12(17)9-7-11/h2-10H,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide?
4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide has a molecular weight of 383.08 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide is sourced from PubChem (CID 114315538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).