2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide

C14H10F2N2O3 — CID 9398210

IUPAC2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccc(F)cc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10F2N2O3/c1-8-12(3-2-4-13(8)18(20)21)17-14(19)10-6-5-9(15)7-11(10)16/h2-7H,1H3,(H,17,19)
InChIKeyRHIWFMUDFKDNHK-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.43
Rot. Bonds3

About 2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide

2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 9398210) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID9398210
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccc(F)cc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10F2N2O3/c1-8-12(3-2-4-13(8)18(20)21)17-14(19)10-6-5-9(15)7-11(10)16/h2-7H,1H3,(H,17,19)
InChIKeyRHIWFMUDFKDNHK-UHFFFAOYSA-N
XLogP3.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.43
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

2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389
5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 60567199
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide (CID 9398210) is 2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide is Cc1c(NC(=O)c2ccc(F)cc2F)cccc1[N+](=O)[O-].
What is the InChIKey of 2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is RHIWFMUDFKDNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-8-12(3-2-4-13(8)18(20)21)17-14(19)10-6-5-9(15)7-11(10)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide?
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 292.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 9398210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).