4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide

C14H18F3NO — CID 52652867

IUPAC4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
SMILESCC(C)CCC(=O)N[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-10(2)8-9-12(19)18-13(14(15,16)17)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyBCUZSCZQWGPEHC-ZDUSSCGKSA-N
MW273.30 g/mol
LogP3.84
Rot. Bonds5

About 4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide

4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide (PubChem CID 52652867) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
PubChem CID52652867
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
SMILESCC(C)CCC(=O)N[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-10(2)8-9-12(19)18-13(14(15,16)17)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyBCUZSCZQWGPEHC-ZDUSSCGKSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)butanamide
CID 122506545
2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide
CID 51094643
4-methyl-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanoic acid
CID 76540409
5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide
CID 82848318
N-(2,2-difluoro-1,2-diphenylethyl)propanamide
CID 134936951
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
(2S)-3-methyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]butanoic acid
CID 11579962
7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine
CID 107814952
N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
CID 115750835
N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861047
2-(tetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]acetamide
CID 95639107
2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]butanoic acid
CID 122592350

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide?
The IUPAC name of 4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide (CID 52652867) is 4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide is CC(C)CCC(=O)N[C@@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of 4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide?
The InChIKey is BCUZSCZQWGPEHC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10(2)8-9-12(19)18-13(14(15,16)17)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide?
4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide has a molecular weight of 273.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide is sourced from PubChem (CID 52652867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).