2-[[4-(bromomethyl)benzoyl]amino]benzamide

C15H13BrN2O2 — CID 102850971

IUPAC2-[[4-(bromomethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H13BrN2O2/c16-9-10-5-7-11(8-6-10)15(20)18-13-4-2-1-3-12(13)14(17)19/h1-8H,9H2,(H2,17,19)(H,18,20)
InChIKeyBECNMALKMACPTA-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.93
Rot. Bonds4

About 2-[[4-(bromomethyl)benzoyl]amino]benzamide

2-[[4-(bromomethyl)benzoyl]amino]benzamide (PubChem CID 102850971) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-[[4-(bromomethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-(bromomethyl)benzoyl]amino]benzamide
PubChem CID102850971
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name2-[[4-(bromomethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H13BrN2O2/c16-9-10-5-7-11(8-6-10)15(20)18-13-4-2-1-3-12(13)14(17)19/h1-8H,9H2,(H2,17,19)(H,18,20)
InChIKeyBECNMALKMACPTA-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

4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
2-benzamidobenzamide
CID 702115
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzamide
CID 17119515
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103
2-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 15943277
3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
CID 102851094
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
CID 23821515
3-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 103693338

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(bromomethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-(bromomethyl)benzoyl]amino]benzamide (CID 102850971) is 2-[[4-(bromomethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-(bromomethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-(bromomethyl)benzoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 2-[[4-(bromomethyl)benzoyl]amino]benzamide?
The InChIKey is BECNMALKMACPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-9-10-5-7-11(8-6-10)15(20)18-13-4-2-1-3-12(13)14(17)19/h1-8H,9H2,(H2,17,19)(H,18,20).
What are the key properties of 2-[[4-(bromomethyl)benzoyl]amino]benzamide?
2-[[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 2-[[4-(bromomethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 102850971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).