2-amino-5-fluoro-N-(4-nitrophenyl)benzamide

C13H10FN3O3 — CID 43245709

IUPAC2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
SMILESNc1ccc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10FN3O3/c14-8-1-6-12(15)11(7-8)13(18)16-9-2-4-10(5-3-9)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyVMISBPWZLXIZHX-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.57
Rot. Bonds3

About 2-amino-5-fluoro-N-(4-nitrophenyl)benzamide

2-amino-5-fluoro-N-(4-nitrophenyl)benzamide (PubChem CID 43245709) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
PubChem CID43245709
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
SMILESNc1ccc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10FN3O3/c14-8-1-6-12(15)11(7-8)13(18)16-9-2-4-10(5-3-9)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyVMISBPWZLXIZHX-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'}

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Related Compounds

2-bromo-4-fluoro-N-(4-nitrophenyl)benzamide
CID 18197888
2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
CID 82865747
2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 43708503
4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide
CID 81236039
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
N-(3-amino-4-fluorophenyl)-4-nitrobenzamide
CID 63257606
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(4-nitrophenyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(4-nitrophenyl)benzamide (CID 43245709) is 2-amino-5-fluoro-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(4-nitrophenyl)benzamide is Nc1ccc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-5-fluoro-N-(4-nitrophenyl)benzamide?
The InChIKey is VMISBPWZLXIZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-8-1-6-12(15)11(7-8)13(18)16-9-2-4-10(5-3-9)17(19)20/h1-7H,15H2,(H,16,18).
What are the key properties of 2-amino-5-fluoro-N-(4-nitrophenyl)benzamide?
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide 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 2-amino-5-fluoro-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 43245709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).