3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide

C17H14ClF4NO — CID 46485685

IUPAC3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C17H14ClF4NO/c18-13-5-1-11(2-6-13)3-8-16(24)23-10-12-4-7-14(19)9-15(12)17(20,21)22/h1-2,4-7,9H,3,8,10H2,(H,23,24)
InChIKeyOPCNVDQDLGSCRF-UHFFFAOYSA-N
MW359.75 g/mol
LogP4.75
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide

3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 46485685) has the molecular formula C17H14ClF4NO and a molecular weight of 359.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID46485685
Molecular FormulaC17H14ClF4NO
Molecular Weight359.75 g/mol
Exact Mass359.07
IUPAC Name3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C17H14ClF4NO/c18-13-5-1-11(2-6-13)3-8-16(24)23-10-12-4-7-14(19)9-15(12)17(20,21)22/h1-2,4-7,9H,3,8,10H2,(H,23,24)
InChIKeyOPCNVDQDLGSCRF-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 46485625
3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 78876423
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55705597
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55708503
2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705908
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46474561
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 166226019
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362
2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 60509025

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide (CID 46485685) is 3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCc1ccc(Cl)cc1)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is OPCNVDQDLGSCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4NO/c18-13-5-1-11(2-6-13)3-8-16(24)23-10-12-4-7-14(19)9-15(12)17(20,21)22/h1-2,4-7,9H,3,8,10H2,(H,23,24).
What are the key properties of 3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 359.75 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46485685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).