2-fluoro-N-(3-nitrophenyl)benzamide

C13H9FN2O3 — CID 531938

IUPAC2-fluoro-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1F
InChIInChI=1S/C13H9FN2O3/c14-12-7-2-1-6-11(12)13(17)15-9-4-3-5-10(8-9)16(18)19/h1-8H,(H,15,17)
InChIKeyIXNXRFCNYAZDHM-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.99
Rot. Bonds3

About 2-fluoro-N-(3-nitrophenyl)benzamide

2-fluoro-N-(3-nitrophenyl)benzamide (PubChem CID 531938) has the molecular formula C13H9FN2O3 and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-fluoro-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-nitrophenyl)benzamide
PubChem CID531938
Molecular FormulaC13H9FN2O3
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC Name2-fluoro-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1F
InChIInChI=1S/C13H9FN2O3/c14-12-7-2-1-6-11(12)13(17)15-9-4-3-5-10(8-9)16(18)19/h1-8H,(H,15,17)
InChIKeyIXNXRFCNYAZDHM-UHFFFAOYSA-N
XLogP2.99
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-N-(3-nitrophenyl)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

2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-nitrophenyl)benzamide
CID 2044985
(6S)-2-[(2-fluorobenzoyl)amino]-6-methyl-N-(3-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1319625
[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate
CID 3365473
2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
CID 105380312
1-(2-fluorophenyl)-5-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 33398323
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-nitrophenyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-nitrophenyl)benzamide (CID 531938) is 2-fluoro-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-nitrophenyl)benzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-nitrophenyl)benzamide?
The InChIKey is IXNXRFCNYAZDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3/c14-12-7-2-1-6-11(12)13(17)15-9-4-3-5-10(8-9)16(18)19/h1-8H,(H,15,17).
What are the key properties of 2-fluoro-N-(3-nitrophenyl)benzamide?
2-fluoro-N-(3-nitrophenyl)benzamide has a molecular weight of 260.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 531938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).