N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide

C21H18F3NO — CID 135159119

IUPACN-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1cccc(C(F)(F)F)c1)NCc1cccc2ccccc12
InChIInChI=1S/C21H18F3NO/c22-21(23,24)18-9-3-5-15(13-18)11-12-20(26)25-14-17-8-4-7-16-6-1-2-10-19(16)17/h1-10,13H,11-12,14H2,(H,25,26)
InChIKeyOHLWFESQKYCUTC-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.11
Rot. Bonds5

About N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide

N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 135159119) has the molecular formula C21H18F3NO and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID135159119
Molecular FormulaC21H18F3NO
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC NameN-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1cccc(C(F)(F)F)c1)NCc1cccc2ccccc12
InChIInChI=1S/C21H18F3NO/c22-21(23,24)18-9-3-5-15(13-18)11-12-20(26)25-14-17-8-4-7-16-6-1-2-10-19(16)17/h1-10,13H,11-12,14H2,(H,25,26)
InChIKeyOHLWFESQKYCUTC-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide 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

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
N-benzyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25293057
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 84565129
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 60842789
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5223974
N-(naphthalen-1-ylmethyl)-N-phosphanyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 123366588
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 51968871
N-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 135159119) is N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCc1cccc(C(F)(F)F)c1)NCc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OHLWFESQKYCUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO/c22-21(23,24)18-9-3-5-15(13-18)11-12-20(26)25-14-17-8-4-7-16-6-1-2-10-19(16)17/h1-10,13H,11-12,14H2,(H,25,26).
What are the key properties of N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide?
N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 357.38 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 135159119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).