3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide

C15H12BrClN2O2 — CID 102851094

IUPAC3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CBr)cc2)c1
InChIInChI=1S/C15H12BrClN2O2/c16-8-9-1-3-10(4-2-9)15(21)19-13-7-11(14(18)20)5-6-12(13)17/h1-7H,8H2,(H2,18,20)(H,19,21)
InChIKeyGNRNSTCDWLVIKQ-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.59
Rot. Bonds4

About 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide

3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide (PubChem CID 102851094) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide.

Molecular Properties

Compound Name3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
PubChem CID102851094
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC Name3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CBr)cc2)c1
InChIInChI=1S/C15H12BrClN2O2/c16-8-9-1-3-10(4-2-9)15(21)19-13-7-11(14(18)20)5-6-12(13)17/h1-7H,8H2,(H2,18,20)(H,19,21)
InChIKeyGNRNSTCDWLVIKQ-UHFFFAOYSA-N
XLogP3.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide 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-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide
CID 102851126
3-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 103693338
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
CID 102850859
4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide
CID 78954012
3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
CID 65464421
N-(5-carbamoyl-2-chlorophenyl)-2-chlorofuran-3-carboxamide
CID 106685896
4-chloro-3-[(3-methoxybenzoyl)amino]benzamide
CID 50875837
3-[[4-(bromomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 102851169
N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide
CID 71969037

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide?
The IUPAC name of 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide (CID 102851094) is 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide.
What is the SMILES notation for 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide?
The canonical SMILES for 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide is NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CBr)cc2)c1.
What is the InChIKey of 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide?
The InChIKey is GNRNSTCDWLVIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c16-8-9-1-3-10(4-2-9)15(21)19-13-7-11(14(18)20)5-6-12(13)17/h1-7H,8H2,(H2,18,20)(H,19,21).
What are the key properties of 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide?
3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide has a molecular weight of 367.63 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide is sourced from PubChem (CID 102851094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).