3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide

C14H9F4NO — CID 144890543

IUPAC3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCc1cc(F)cc(C(=O)Nc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H9F4NO/c1-7-2-8(4-9(15)3-7)14(20)19-10-5-11(16)13(18)12(17)6-10/h2-6H,1H3,(H,19,20)
InChIKeyJLTSGXFKNNSPDF-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.80
Rot. Bonds2

About 3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide

3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 144890543) has the molecular formula C14H9F4NO and a molecular weight of 283.22 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID144890543
Molecular FormulaC14H9F4NO
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCc1cc(F)cc(C(=O)Nc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H9F4NO/c1-7-2-8(4-9(15)3-7)14(20)19-10-5-11(16)13(18)12(17)6-10/h2-6H,1H3,(H,19,20)
InChIKeyJLTSGXFKNNSPDF-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

N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
3-fluoro-N-(4-hydroxyphenyl)-5-methylbenzamide
CID 113246156
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide
CID 82811248
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide (CID 144890543) is 3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide is Cc1cc(F)cc(C(=O)Nc2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is JLTSGXFKNNSPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c1-7-2-8(4-9(15)3-7)14(20)19-10-5-11(16)13(18)12(17)6-10/h2-6H,1H3,(H,19,20).
What are the key properties of 3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide?
3-fluoro-5-methyl-N-(3,4,5-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-5-methyl-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 144890543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).