N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide

C14H12FN3O3 — CID 62166566

IUPACN-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C14H12FN3O3/c1-16-9-6-7-13(18(20)21)10(8-9)14(19)17-12-5-3-2-4-11(12)15/h2-8,16H,1H3,(H,17,19)
InChIKeyFHPDCLXOBQHUHY-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.03
Rot. Bonds4

About N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide

N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide (PubChem CID 62166566) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
PubChem CID62166566
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC NameN-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C14H12FN3O3/c1-16-9-6-7-13(18(20)21)10(8-9)14(19)17-12-5-3-2-4-11(12)15/h2-8,16H,1H3,(H,17,19)
InChIKeyFHPDCLXOBQHUHY-UHFFFAOYSA-N
XLogP3.03
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
CID 107595456
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide
CID 62155395
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
5-(methylamino)-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63672242
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 107586666
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 62167041
5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 62168858
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methylsulfanyl-2-nitrobenzamide
CID 55466112

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide (CID 62166566) is N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide is CNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide?
The InChIKey is FHPDCLXOBQHUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-16-9-6-7-13(18(20)21)10(8-9)14(19)17-12-5-3-2-4-11(12)15/h2-8,16H,1H3,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide?
N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide has a molecular weight of 289.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 62166566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).