3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide

C19H18ClF3N2O2 — CID 110303514

IUPAC3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
SMILESCC(C)(CC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF3N2O2/c1-18(2,12-3-5-13(20)6-4-12)11-16(26)24-14-7-9-15(10-8-14)25-17(27)19(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUXWHIPQCRFPMQT-UHFFFAOYSA-N
MW398.81 g/mol
LogP5.15
Rot. Bonds5

About 3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide

3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide (PubChem CID 110303514) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
PubChem CID110303514
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
SMILESCC(C)(CC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF3N2O2/c1-18(2,12-3-5-13(20)6-4-12)11-16(26)24-14-7-9-15(10-8-14)25-17(27)19(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUXWHIPQCRFPMQT-UHFFFAOYSA-N
XLogP5.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.81
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 112505285
N-(4-chlorophenyl)-3,3-dimethylpentanamide
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2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
5-(4-chloroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 2732371
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-(4-chlorophenyl)-4,4,4-trifluorobutanamide
CID 155941225
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide
CID 110615712
N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 117275285
3,3-difluoro-N-phenylbutanamide
CID 131059355
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
2-[(4-chlorophenyl)carbamoyl]-2-ethylbutanoic acid
CID 24823612

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide (CID 110303514) is 3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide is CC(C)(CC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The InChIKey is UXWHIPQCRFPMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-18(2,12-3-5-13(20)6-4-12)11-16(26)24-14-7-9-15(10-8-14)25-17(27)19(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide has a molecular weight of 398.81 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 110303514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).