3-amino-N-(4-fluorophenyl)-4-nitrobenzamide

C13H10FN3O3 — CID 62681564

IUPAC3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O3/c14-9-2-4-10(5-3-9)16-13(18)8-1-6-12(17(19)20)11(15)7-8/h1-7H,15H2,(H,16,18)
InChIKeyAUZNBKHSFGUYLH-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.57
Rot. Bonds3

About 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide

3-amino-N-(4-fluorophenyl)-4-nitrobenzamide (PubChem CID 62681564) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
PubChem CID62681564
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O3/c14-9-2-4-10(5-3-9)16-13(18)8-1-6-12(17(19)20)11(15)7-8/h1-7H,15H2,(H,16,18)
InChIKeyAUZNBKHSFGUYLH-UHFFFAOYSA-N
XLogP2.57
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide 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-amino-4-nitro-N-pyridin-4-ylbenzamide
CID 62681915
3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
3-amino-4-bromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 107813287
4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 91590330
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 60698538
N-(3-amino-4-nitrophenyl)benzamide
CID 3685591
3-amino-N-(2-fluoro-4-methylphenyl)-4-nitrobenzamide
CID 62682826
4-(cyclopropylamino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 7892893
3-amino-N-(2-iodophenyl)-4-nitrobenzamide
CID 62681027
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6034623
3-amino-N-(2-methylphenyl)-4-nitrobenzamide
CID 62682473
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide?
The IUPAC name of 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide (CID 62681564) is 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide?
The canonical SMILES for 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide is Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide?
The InChIKey is AUZNBKHSFGUYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-9-2-4-10(5-3-9)16-13(18)8-1-6-12(17(19)20)11(15)7-8/h1-7H,15H2,(H,16,18).
What are the key properties of 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide?
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide has a molecular weight of 275.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 62681564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).