3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide

C15H18F3NO — CID 67553495

IUPAC3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(C(N)=O)C(C)(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H18F3NO/c1-9(13(19)20)14(2,10-6-7-10)11-4-3-5-12(8-11)15(16,17)18/h3-5,8-10H,6-7H2,1-2H3,(H2,19,20)
InChIKeyDIRCDCVYPFOKLL-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.49
Rot. Bonds4

About 3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide

3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 67553495) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID67553495
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(C(N)=O)C(C)(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H18F3NO/c1-9(13(19)20)14(2,10-6-7-10)11-4-3-5-12(8-11)15(16,17)18/h3-5,8-10H,6-7H2,1-2H3,(H2,19,20)
InChIKeyDIRCDCVYPFOKLL-UHFFFAOYSA-N
XLogP3.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
methyl 2-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]butanoate
CID 115050962
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
1-cyclopropyl-1-methyl-2-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]guanidine
CID 110030930
methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate
CID 176659778
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
2-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 66632722
2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 71977559
2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 115050963
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide
CID 65234342

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide (CID 67553495) is 3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide is CC(C(N)=O)C(C)(c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is DIRCDCVYPFOKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-9(13(19)20)14(2,10-6-7-10)11-4-3-5-12(8-11)15(16,17)18/h3-5,8-10H,6-7H2,1-2H3,(H2,19,20).
What are the key properties of 3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide?
3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 285.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 67553495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).