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

C13H9F2N3O3 — CID 115736636

IUPACN-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
SMILESNc1ccc(F)c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H9F2N3O3/c14-7-1-3-9(12(5-7)18(20)21)13(19)17-11-6-8(16)2-4-10(11)15/h1-6H,16H2,(H,17,19)
InChIKeyJIWCSCAMCCLWDA-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.71
Rot. Bonds3

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

N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide (PubChem CID 115736636) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
PubChem CID115736636
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC NameN-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
SMILESNc1ccc(F)c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H9F2N3O3/c14-7-1-3-9(12(5-7)18(20)21)13(19)17-11-6-8(16)2-4-10(11)15/h1-6H,16H2,(H,17,19)
InChIKeyJIWCSCAMCCLWDA-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

N-(5-amino-2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 43600155
2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
CID 115936339
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 75502193
5-amino-N-(2-fluoro-5-methylphenyl)-2-nitrobenzamide
CID 62156286
5-amino-N-(2-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 62156280
N-(5-amino-2-fluorophenyl)-3-methyl-4-nitrobenzamide
CID 43600154
N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
CID 67556047
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide
CID 43600127
N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 107301433
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide
CID 62155395

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide (CID 115736636) is N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide is Nc1ccc(F)c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide?
The InChIKey is JIWCSCAMCCLWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c14-7-1-3-9(12(5-7)18(20)21)13(19)17-11-6-8(16)2-4-10(11)15/h1-6H,16H2,(H,17,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide?
N-(5-amino-2-fluorophenyl)-4-fluoro-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 N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide is sourced from PubChem (CID 115736636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).