N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide

C14H11FN2O3 — CID 710979

IUPACN-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2ccccc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O3/c1-9-10(5-4-8-13(9)17(19)20)14(18)16-12-7-3-2-6-11(12)15/h2-8H,1H3,(H,16,18)
InChIKeyLHYFPSUHMFBOLM-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.29
Rot. Bonds3

About N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide

N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide (PubChem CID 710979) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
PubChem CID710979
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2ccccc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O3/c1-9-10(5-4-8-13(9)17(19)20)14(18)16-12-7-3-2-6-11(12)15/h2-8H,1H3,(H,16,18)
InChIKeyLHYFPSUHMFBOLM-UHFFFAOYSA-N
XLogP3.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-amino-2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 43600155
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9394683
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide (CID 710979) is N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide is Cc1c(C(=O)Nc2ccccc2F)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide?
The InChIKey is LHYFPSUHMFBOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-9-10(5-4-8-13(9)17(19)20)14(18)16-12-7-3-2-6-11(12)15/h2-8H,1H3,(H,16,18).
What are the key properties of N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide?
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide has a molecular weight of 274.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 710979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).