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

C18H17ClF3NO — CID 42909302

IUPAC2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)C(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF3NO/c1-11(2)16(12-3-7-14(19)8-4-12)17(24)23-15-9-5-13(6-10-15)18(20,21)22/h3-11,16H,1-2H3,(H,23,24)
InChIKeyZFNYOCQLNGBTLA-UHFFFAOYSA-N
MW355.79 g/mol
LogP5.74
Rot. Bonds4

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

2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 42909302) has the molecular formula C18H17ClF3NO and a molecular weight of 355.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID42909302
Molecular FormulaC18H17ClF3NO
Molecular Weight355.79 g/mol
Exact Mass355.10
IUPAC Name2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)C(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF3NO/c1-11(2)16(12-3-7-14(19)8-4-12)17(24)23-15-9-5-13(6-10-15)18(20,21)22/h3-11,16H,1-2H3,(H,23,24)
InChIKeyZFNYOCQLNGBTLA-UHFFFAOYSA-N
XLogP5.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.79
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
CID 7944876
(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
4-[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N,N-diethylbenzamide
CID 8503860
2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide
CID 43055354
3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 167840355
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
CID 46226142

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide (CID 42909302) is 2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide is CC(C)C(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is ZFNYOCQLNGBTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO/c1-11(2)16(12-3-7-14(19)8-4-12)17(24)23-15-9-5-13(6-10-15)18(20,21)22/h3-11,16H,1-2H3,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide?
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 355.79 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 42909302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).