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

C19H17F6NO — CID 102499454

IUPAC4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCc1ccc(C(C)(CC(F)(F)F)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H17F6NO/c1-12-6-8-13(9-7-12)17(2,11-18(20,21)22)16(27)26-15-5-3-4-14(10-15)19(23,24)25/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyXBJVYHGSDWNAJQ-UHFFFAOYSA-N
MW389.34 g/mol
LogP5.86
Rot. Bonds4

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

4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 102499454) has the molecular formula C19H17F6NO and a molecular weight of 389.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID102499454
Molecular FormulaC19H17F6NO
Molecular Weight389.34 g/mol
Exact Mass389.12
IUPAC Name4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCc1ccc(C(C)(CC(F)(F)F)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H17F6NO/c1-12-6-8-13(9-7-12)17(2,11-18(20,21)22)16(27)26-15-5-3-4-14(10-15)19(23,24)25/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyXBJVYHGSDWNAJQ-UHFFFAOYSA-N
XLogP5.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.34
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3512423
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108957311
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108968157
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 27654804
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide (CID 102499454) is 4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide is Cc1ccc(C(C)(CC(F)(F)F)C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is XBJVYHGSDWNAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO/c1-12-6-8-13(9-7-12)17(2,11-18(20,21)22)16(27)26-15-5-3-4-14(10-15)19(23,24)25/h3-10H,11H2,1-2H3,(H,26,27).
What are the key properties of 4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide?
4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 389.34 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methyl-2-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 102499454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).