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

C18H18F3NO — CID 91572023

IUPAC2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(CCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO/c1-13(10-11-14-6-3-2-4-7-14)17(23)22-16-9-5-8-15(12-16)18(19,20)21/h2-9,12-13H,10-11H2,1H3,(H,22,23)
InChIKeyVCVFSQKTGVTMQT-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.91
Rot. Bonds5

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

2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 91572023) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID91572023
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(CCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO/c1-13(10-11-14-6-3-2-4-7-14)17(23)22-16-9-5-8-15(12-16)18(19,20)21/h2-9,12-13H,10-11H2,1H3,(H,22,23)
InChIKeyVCVFSQKTGVTMQT-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
(2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
CID 95330395
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
3-(4-fluorophenyl)sulfanyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 144981955
(4S)-5-oxo-4-(phenylmethoxycarbonylamino)-5-[3-(trifluoromethyl)anilino]pentanoic acid
CID 146629247
(2S)-N-(4-fluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]hex-5-enamide
CID 166896952
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
(2S)-2-[[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutanoyl]amino]-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 69283054
(2R)-N-(4-chloro-3-methylphenyl)-2-methyl-4-phenylbutanamide
CID 59895134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide (CID 91572023) is 2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide is CC(CCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is VCVFSQKTGVTMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-13(10-11-14-6-3-2-4-7-14)17(23)22-16-9-5-8-15(12-16)18(19,20)21/h2-9,12-13H,10-11H2,1H3,(H,22,23).
What are the key properties of 2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide?
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 321.34 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 91572023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).