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

C14H10F2N2O3 — CID 62660947

IUPAC2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10F2N2O3/c1-8-7-9(5-6-12(8)18(20)21)17-14(19)10-3-2-4-11(15)13(10)16/h2-7H,1H3,(H,17,19)
InChIKeyPYVDZJLXFPUWNE-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.43
Rot. Bonds3

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

2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide (PubChem CID 62660947) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
PubChem CID62660947
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10F2N2O3/c1-8-7-9(5-6-12(8)18(20)21)17-14(19)10-3-2-4-11(15)13(10)16/h2-7H,1H3,(H,17,19)
InChIKeyPYVDZJLXFPUWNE-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-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688
2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 115920885
2-[(3-methyl-4-nitrophenyl)carbamoyl]-6-nitrobenzoic acid
CID 4609006
4-amino-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 107794431
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
2-fluoro-N-[2-(3-methyl-4-nitroanilino)ethyl]benzamide
CID 133271443
4-cyano-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 2989901
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
N-(3,4-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 5187625
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
5-amino-N-(4-fluoro-3-methylphenyl)-2-nitrobenzamide
CID 62811596
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide (CID 62660947) is 2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide is Cc1cc(NC(=O)c2cccc(F)c2F)ccc1[N+](=O)[O-].
What is the InChIKey of 2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide?
The InChIKey is PYVDZJLXFPUWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-8-7-9(5-6-12(8)18(20)21)17-14(19)10-3-2-4-11(15)13(10)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide?
2,3-difluoro-N-(3-methyl-4-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 2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 62660947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).