2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide

C20H19Cl2F4NO — CID 143776014

IUPAC2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(C(=O)NCc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2F4NO/c1-3-8-19(2,13-5-6-15(21)16(22)10-13)18(28)27-11-12-4-7-17(23)14(9-12)20(24,25)26/h4-7,9-10H,3,8,11H2,1-2H3,(H,27,28)
InChIKeyOBYIABDUQSWQEX-UHFFFAOYSA-N
MW436.28 g/mol
LogP6.53
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide

2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide (PubChem CID 143776014) has the molecular formula C20H19Cl2F4NO and a molecular weight of 436.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide
PubChem CID143776014
Molecular FormulaC20H19Cl2F4NO
Molecular Weight436.28 g/mol
Exact Mass435.08
IUPAC Name2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(C(=O)NCc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2F4NO/c1-3-8-19(2,13-5-6-15(21)16(22)10-13)18(28)27-11-12-4-7-17(23)14(9-12)20(24,25)26/h4-7,9-10H,3,8,11H2,1-2H3,(H,27,28)
InChIKeyOBYIABDUQSWQEX-UHFFFAOYSA-N
XLogP6.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.28
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(3,4-dichlorophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N,2-dimethylpentanamide;N-heptan-4-ylmethanesulfonamide
CID 143775919
N-[(4-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-2-methyl-4-(4-methylsulfonylpiperazin-1-yl)butanamide
CID 25124323
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2,2-dimethylpropyl)urea
CID 147285009
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(3,4-difluorophenyl)prop-2-enamide
CID 123973637
N-[(1R)-1-(4-chloro-3-hydroxyphenyl)ethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide
CID 143776033
N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4159508
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3-trimethylbutanamide
CID 65266643
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 81489065
2-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 62533110
N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63454905
N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide
CID 143775970
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide
CID 62538120

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide (CID 143776014) is 2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide is CCCC(C)(C(=O)NCc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide?
The InChIKey is OBYIABDUQSWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F4NO/c1-3-8-19(2,13-5-6-15(21)16(22)10-13)18(28)27-11-12-4-7-17(23)14(9-12)20(24,25)26/h4-7,9-10H,3,8,11H2,1-2H3,(H,27,28).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide?
2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide has a molecular weight of 436.28 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpentanamide is sourced from PubChem (CID 143776014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).