(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide

C11H12F4N2O — CID 79022999

IUPAC(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O/c1-2-9(16)10(18)17-6-3-4-8(12)7(5-6)11(13,14)15/h3-5,9H,2,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyVMMAYSQBIXLDQM-VIFPVBQESA-N
MW264.22 g/mol
LogP2.52
Rot. Bonds3

About (2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide

(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide (PubChem CID 79022999) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
PubChem CID79022999
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H12F4N2O/c1-2-9(16)10(18)17-6-3-4-8(12)7(5-6)11(13,14)15/h3-5,9H,2,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyVMMAYSQBIXLDQM-VIFPVBQESA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]butanamide
CID 65483963
5-(2-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712184
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
CID 119281097
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
CID 60852209
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 61229798
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 81083146
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide (CID 79022999) is (2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide is CC[C@H](N)C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is VMMAYSQBIXLDQM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12F4N2O/c1-2-9(16)10(18)17-6-3-4-8(12)7(5-6)11(13,14)15/h3-5,9H,2,16H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide?
(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 264.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 79022999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).