5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide

C13H9F2N3O3 — CID 62155395

IUPAC5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide
SMILESNc1cc(C(=O)Nc2ccccc2F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H9F2N3O3/c14-8-3-1-2-4-11(8)17-13(19)7-5-10(16)9(15)6-12(7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyUOJFJYUOFQFRCH-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.71
Rot. Bonds3

About 5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide

5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide (PubChem CID 62155395) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide
PubChem CID62155395
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide
SMILESNc1cc(C(=O)Nc2ccccc2F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H9F2N3O3/c14-8-3-1-2-4-11(8)17-13(19)7-5-10(16)9(15)6-12(7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyUOJFJYUOFQFRCH-UHFFFAOYSA-N
XLogP2.71
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.71
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

5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide
CID 62154161
5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide
CID 63328476
N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62166566
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide
CID 83114921
5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide
CID 79233095
5-amino-4-fluoro-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62155193
5-amino-4-fluoro-2-nitro-N-(thiatriazol-5-yl)benzamide
CID 114914404
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-2-nitrobenzamide
CID 62185341

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide?
The IUPAC name of 5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide (CID 62155395) is 5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide is Nc1cc(C(=O)Nc2ccccc2F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide?
The InChIKey is UOJFJYUOFQFRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c14-8-3-1-2-4-11(8)17-13(19)7-5-10(16)9(15)6-12(7)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide?
5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide has a molecular weight of 293.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide is sourced from PubChem (CID 62155395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).