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

C15H13BrN2O2 — CID 103693338

IUPAC3-[[4-(bromomethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2ccc(CBr)cc2)c1
InChIInChI=1S/C15H13BrN2O2/c16-9-10-4-6-11(7-5-10)15(20)18-13-3-1-2-12(8-13)14(17)19/h1-8H,9H2,(H2,17,19)(H,18,20)
InChIKeyLNEOZGCLYWIJCZ-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.93
Rot. Bonds4

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

3-[[4-(bromomethyl)benzoyl]amino]benzamide (PubChem CID 103693338) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 3-[[4-(bromomethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(bromomethyl)benzoyl]amino]benzamide
PubChem CID103693338
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name3-[[4-(bromomethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2ccc(CBr)cc2)c1
InChIInChI=1S/C15H13BrN2O2/c16-9-10-4-6-11(7-5-10)15(20)18-13-3-1-2-12(8-13)14(17)19/h1-8H,9H2,(H2,17,19)(H,18,20)
InChIKeyLNEOZGCLYWIJCZ-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
CID 78807046
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide
CID 102851126
3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
CID 102851094
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
3-[[4-(2-phenylethynyl)benzoyl]amino]benzamide
CID 22110606
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(bromomethyl)benzoyl]amino]benzamide?
The IUPAC name of 3-[[4-(bromomethyl)benzoyl]amino]benzamide (CID 103693338) is 3-[[4-(bromomethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[4-(bromomethyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-[[4-(bromomethyl)benzoyl]amino]benzamide is NC(=O)c1cccc(NC(=O)c2ccc(CBr)cc2)c1.
What is the InChIKey of 3-[[4-(bromomethyl)benzoyl]amino]benzamide?
The InChIKey is LNEOZGCLYWIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-9-10-4-6-11(7-5-10)15(20)18-13-3-1-2-12(8-13)14(17)19/h1-8H,9H2,(H2,17,19)(H,18,20).
What are the key properties of 3-[[4-(bromomethyl)benzoyl]amino]benzamide?
3-[[4-(bromomethyl)benzoyl]amino]benzamide has a molecular weight of 333.19 g/mol, XLogP of 2.93, 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]benzamide is sourced from PubChem (CID 103693338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).