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

C19H20F3NO — CID 67742586

IUPAC3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide
SMILESCc1ccc(NC(=O)CC(C)C)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3NO/c1-12(2)9-18(24)23-17-8-7-13(3)10-16(17)14-5-4-6-15(11-14)19(20,21)22/h4-8,10-12H,9H2,1-3H3,(H,23,24)
InChIKeyHYBJIDDZVSOYHB-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.67
Rot. Bonds4

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

3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide (PubChem CID 67742586) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide
PubChem CID67742586
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide
SMILESCc1ccc(NC(=O)CC(C)C)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3NO/c1-12(2)9-18(24)23-17-8-7-13(3)10-16(17)14-5-4-6-15(11-14)19(20,21)22/h4-8,10-12H,9H2,1-3H3,(H,23,24)
InChIKeyHYBJIDDZVSOYHB-UHFFFAOYSA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 162534936
2-(3-methylbutanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269531
N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 122476023
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid
CID 69316354
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide
CID 139919973
3-[[2-[4-(3-methylbutanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54832794
4-(3-methylbutanoylamino)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924445
3-amino-N-[2-[6-[2-(3-aminopropanoylamino)-5-(trifluoromethyl)phenyl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]propanamide
CID 52936414
N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide
CID 29084327
N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108955782

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide (CID 67742586) is 3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide is Cc1ccc(NC(=O)CC(C)C)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide?
The InChIKey is HYBJIDDZVSOYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-12(2)9-18(24)23-17-8-7-13(3)10-16(17)14-5-4-6-15(11-14)19(20,21)22/h4-8,10-12H,9H2,1-3H3,(H,23,24).
What are the key properties of 3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide?
3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide has a molecular weight of 335.37 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide is sourced from PubChem (CID 67742586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).