5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide

C15H14BrN3O2 — CID 115297287

IUPAC5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(N)ccc2Br)c1
InChIInChI=1S/C15H14BrN3O2/c16-13-5-4-11(17)7-12(13)15(21)19-8-9-2-1-3-10(6-9)14(18)20/h1-7H,8,17H2,(H2,18,20)(H,19,21)
InChIKeySGBNKGFMMMMMCT-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.06
Rot. Bonds4

About 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide

5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide (PubChem CID 115297287) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide
PubChem CID115297287
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(N)ccc2Br)c1
InChIInChI=1S/C15H14BrN3O2/c16-13-5-4-11(17)7-12(13)15(21)19-8-9-2-1-3-10(6-9)14(18)20/h1-7H,8,17H2,(H2,18,20)(H,19,21)
InChIKeySGBNKGFMMMMMCT-UHFFFAOYSA-N
XLogP2.06
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]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

4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 32636145
3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
CID 103706738
3-[(carbamoylamino)methyl]benzamide
CID 166184789
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62990194
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
5-[[(5-amino-2-bromobenzoyl)amino]methyl]furan-2-carboxylic acid
CID 115297434
5-[[(5-amino-2-bromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 115297449
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
2-bromo-N-[(3-carbamothioylphenyl)methyl]-4-chlorobenzamide
CID 107987788

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide (CID 115297287) is 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide is NC(=O)c1cccc(CNC(=O)c2cc(N)ccc2Br)c1.
What is the InChIKey of 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide?
The InChIKey is SGBNKGFMMMMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-13-5-4-11(17)7-12(13)15(21)19-8-9-2-1-3-10(6-9)14(18)20/h1-7H,8,17H2,(H2,18,20)(H,19,21).
What are the key properties of 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide?
5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide has a molecular weight of 348.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(3-carbamoylphenyl)methyl]benzamide is sourced from PubChem (CID 115297287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).