4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide

C13H9ClFN3O3 — CID 60628960

IUPAC4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClFN3O3/c14-8-2-1-3-10(12(8)15)17-13(19)7-4-5-9(16)11(6-7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyZXSIVUFPNZGCCT-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.22
Rot. Bonds3

About 4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide

4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide (PubChem CID 60628960) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
PubChem CID60628960
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC Name4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClFN3O3/c14-8-2-1-3-10(12(8)15)17-13(19)7-4-5-9(16)11(6-7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyZXSIVUFPNZGCCT-UHFFFAOYSA-N
XLogP3.22
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.22
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 4-amino-N-(3-chloro-2-fluorophenyl)-3-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

4-amino-N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 25140841
N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
CID 51145763
4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 60629488
4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide
CID 103094802
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
4-amino-N-(5-chloro-2-methylphenyl)-3-nitrobenzamide
CID 7551668
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 60698538
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
N-(3-chloro-2-methylphenyl)-3-fluoro-4-methyl-5-nitrobenzamide
CID 55772117
2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 55041638
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide
CID 60628101

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide (CID 60628960) is 4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide is Nc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide?
The InChIKey is ZXSIVUFPNZGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c14-8-2-1-3-10(12(8)15)17-13(19)7-4-5-9(16)11(6-7)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide?
4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide has a molecular weight of 309.68 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 60628960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).