3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide

C14H9F4NO — CID 26690686

IUPAC3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1F
InChIInChI=1S/C14H9F4NO/c1-7-2-3-8(6-10(7)16)14(20)19-11-5-4-9(15)12(17)13(11)18/h2-6H,1H3,(H,19,20)
InChIKeyXQDMHFPSQSKBFN-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.80
Rot. Bonds2

About 3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide

3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 26690686) has the molecular formula C14H9F4NO and a molecular weight of 283.22 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID26690686
Molecular FormulaC14H9F4NO
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1F
InChIInChI=1S/C14H9F4NO/c1-7-2-3-8(6-10(7)16)14(20)19-11-5-4-9(15)12(17)13(11)18/h2-6H,1H3,(H,19,20)
InChIKeyXQDMHFPSQSKBFN-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 9087267
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405723
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methylbenzamide
CID 16771232
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608
N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
CID 81291060
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide (CID 26690686) is 3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is XQDMHFPSQSKBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c1-7-2-3-8(6-10(7)16)14(20)19-11-5-4-9(15)12(17)13(11)18/h2-6H,1H3,(H,19,20).
What are the key properties of 3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide?
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 283.22 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 26690686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).