2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide

C15H13FN2O3 — CID 62512688

IUPAC2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1
InChIInChI=1S/C15H13FN2O3/c1-9-3-5-13(16)12(7-9)15(19)17-11-4-6-14(18(20)21)10(2)8-11/h3-8H,1-2H3,(H,17,19)
InChIKeyZEALAQITRRUBTA-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.60
Rot. Bonds3

About 2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide

2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide (PubChem CID 62512688) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
PubChem CID62512688
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1
InChIInChI=1S/C15H13FN2O3/c1-9-3-5-13(16)12(7-9)15(19)17-11-4-6-14(18(20)21)10(2)8-11/h3-8H,1-2H3,(H,17,19)
InChIKeyZEALAQITRRUBTA-UHFFFAOYSA-N
XLogP3.60
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.60
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

2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 62660947
4-amino-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 107794431
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
5-amino-N-(4-fluoro-3-methylphenyl)-2-nitrobenzamide
CID 62811596
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
4-cyano-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 2989901
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide (CID 62512688) is 2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide is Cc1ccc(F)c(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide?
The InChIKey is ZEALAQITRRUBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-3-5-13(16)12(7-9)15(19)17-11-4-6-14(18(20)21)10(2)8-11/h3-8H,1-2H3,(H,17,19).
What are the key properties of 2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide?
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide has a molecular weight of 288.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 62512688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).