3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide

C20H15F4NO — CID 70693309

IUPAC3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H15F4NO/c1-12(14-7-6-13-4-2-3-5-15(13)8-14)25-19(26)16-9-17(20(22,23)24)11-18(21)10-16/h2-12H,1H3,(H,25,26)
InChIKeyQZTFKMDNUMGOGL-UHFFFAOYSA-N
MW361.34 g/mol
LogP5.49
Rot. Bonds3

About 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide

3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide (PubChem CID 70693309) has the molecular formula C20H15F4NO and a molecular weight of 361.34 g/mol. Its IUPAC name is 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide
PubChem CID70693309
Molecular FormulaC20H15F4NO
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H15F4NO/c1-12(14-7-6-13-4-2-3-5-15(13)8-14)25-19(26)16-9-17(20(22,23)24)11-18(21)10-16/h2-12H,1H3,(H,25,26)
InChIKeyQZTFKMDNUMGOGL-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.34
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(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-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
N-[(1R)-1-naphthalen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8025350
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
4-(methylsulfamoyl)-N-(1-naphthalen-2-ylethyl)benzamide
CID 51220036
3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane
CID 162064632
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 7899681
3-cyano-N-(1-naphthalen-2-ylethyl)benzamide
CID 4824219
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide (CID 70693309) is 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide is CC(NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1.
What is the InChIKey of 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is QZTFKMDNUMGOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO/c1-12(14-7-6-13-4-2-3-5-15(13)8-14)25-19(26)16-9-17(20(22,23)24)11-18(21)10-16/h2-12H,1H3,(H,25,26).
What are the key properties of 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide?
3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 361.34 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70693309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).