3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide

C14H12BrN3O2 — CID 5233749

IUPAC3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
SMILESNC(=NO)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H12BrN3O2/c15-11-3-1-2-10(8-11)14(19)17-12-6-4-9(5-7-12)13(16)18-20/h1-8,20H,(H2,16,18)(H,17,19)
InChIKeyAQPDYVALXFEAEM-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.80
Rot. Bonds3

About 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide

3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide (PubChem CID 5233749) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
PubChem CID5233749
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
SMILESNC(=NO)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H12BrN3O2/c15-11-3-1-2-10(8-11)14(19)17-12-6-4-9(5-7-12)13(16)18-20/h1-8,20H,(H2,16,18)(H,17,19)
InChIKeyAQPDYVALXFEAEM-UHFFFAOYSA-N
XLogP2.80
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)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-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935570
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107690793
2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 114375212
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-bromobenzamide
CID 62301577
3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64794650
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-bromo-N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]benzamide
CID 76932708
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide (CID 5233749) is 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide is NC(=NO)c1ccc(NC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The InChIKey is AQPDYVALXFEAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-3-1-2-10(8-11)14(19)17-12-6-4-9(5-7-12)13(16)18-20/h1-8,20H,(H2,16,18)(H,17,19).
What are the key properties of 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide has a molecular weight of 334.17 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide is sourced from PubChem (CID 5233749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).