4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide

C14H15F4NO2 — CID 103888185

IUPAC4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide
SMILESCC1CC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)CCO1
InChIInChI=1S/C14H15F4NO2/c1-8-6-10(4-5-21-8)19-13(20)9-2-3-12(15)11(7-9)14(16,17)18/h2-3,7-8,10H,4-6H2,1H3,(H,19,20)
InChIKeyCGLRWIKEPQHTGX-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.14
Rot. Bonds2

About 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 103888185) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID103888185
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Name4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide
SMILESCC1CC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)CCO1
InChIInChI=1S/C14H15F4NO2/c1-8-6-10(4-5-21-8)19-13(20)9-2-3-12(15)11(7-9)14(16,17)18/h2-3,7-8,10H,4-6H2,1H3,(H,19,20)
InChIKeyCGLRWIKEPQHTGX-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide
CID 103888208
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
4-bromo-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82729029
4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide
CID 114540505
4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103888209
3-fluoro-4-[(2-methyloxan-4-yl)sulfamoyl]benzoic acid
CID 104654796
3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518
N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 63251637

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide (CID 103888185) is 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide is CC1CC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)CCO1.
What is the InChIKey of 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is CGLRWIKEPQHTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c1-8-6-10(4-5-21-8)19-13(20)9-2-3-12(15)11(7-9)14(16,17)18/h2-3,7-8,10H,4-6H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 305.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103888185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).