2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide

C13H9ClFN3O3 — CID 82865747

IUPAC2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H9ClFN3O3/c14-10-6-8(2-4-12(10)18(20)21)17-13(19)9-5-7(15)1-3-11(9)16/h1-6H,16H2,(H,17,19)
InChIKeyOFXGAZAEJOXKRJ-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.22
Rot. Bonds3

About 2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide

2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide (PubChem CID 82865747) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
PubChem CID82865747
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC Name2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H9ClFN3O3/c14-10-6-8(2-4-12(10)18(20)21)17-13(19)9-5-7(15)1-3-11(9)16/h1-6H,16H2,(H,17,19)
InChIKeyOFXGAZAEJOXKRJ-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'}

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Related Compounds

2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide
CID 82865772
2-amino-N-(4-chloro-3-nitrophenyl)-4-fluorobenzamide
CID 63110248
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 79118519
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
CID 103774980
5-bromo-N-(3-chloro-4-nitrophenyl)-2-methylbenzamide
CID 79012178
2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576304
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide (CID 82865747) is 2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide is Nc1ccc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide?
The InChIKey is OFXGAZAEJOXKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c14-10-6-8(2-4-12(10)18(20)21)17-13(19)9-5-7(15)1-3-11(9)16/h1-6H,16H2,(H,17,19).
What are the key properties of 2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide?
2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide 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 2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide is sourced from PubChem (CID 82865747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).