2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide

C14H12ClN3O2 — CID 76891287

IUPAC2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
SMILESNC(=NO)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H12ClN3O2/c15-12-7-2-1-6-11(12)14(19)17-10-5-3-4-9(8-10)13(16)18-20/h1-8,20H,(H2,16,18)(H,17,19)
InChIKeyFDWCBPPBAZVKCN-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.69
Rot. Bonds3

About 2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide

2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide (PubChem CID 76891287) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
PubChem CID76891287
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
SMILESNC(=NO)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H12ClN3O2/c15-12-7-2-1-6-11(12)14(19)17-10-5-3-4-9(8-10)13(16)18-20/h1-8,20H,(H2,16,18)(H,17,19)
InChIKeyFDWCBPPBAZVKCN-UHFFFAOYSA-N
XLogP2.69
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.69
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 2-chloro-N-[3-(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-chloro-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 80641291
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 114375212
4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
CID 107672423
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
CID 1097784
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015745

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide (CID 76891287) is 2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide is NC(=NO)c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
The InChIKey is FDWCBPPBAZVKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-7-2-1-6-11(12)14(19)17-10-5-3-4-9(8-10)13(16)18-20/h1-8,20H,(H2,16,18)(H,17,19).
What are the key properties of 2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide?
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide has a molecular weight of 289.72 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide is sourced from PubChem (CID 76891287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).