(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide

C12H14ClF3N2O — CID 107570754

IUPAC(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14ClF3N2O/c1-2-3-10(17)11(19)18-9-5-7(12(14,15)16)4-8(13)6-9/h4-6,10H,2-3,17H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyYYMMNWGTXNUFCG-JTQLQIEISA-N
MW294.70 g/mol
LogP3.42
Rot. Bonds4

About (2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide

(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide (PubChem CID 107570754) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide
PubChem CID107570754
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14ClF3N2O/c1-2-3-10(17)11(19)18-9-5-7(12(14,15)16)4-8(13)6-9/h4-6,10H,2-3,17H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyYYMMNWGTXNUFCG-JTQLQIEISA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-[3-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 116699614
3-[[(2S)-2-aminopentanoyl]amino]-5-(trifluoromethyl)benzoic acid
CID 103869561
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyl-2-sulfanylbutanamide
CID 107036182
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
CID 116699308
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide (CID 107570754) is (2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is YYMMNWGTXNUFCG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-2-3-10(17)11(19)18-9-5-7(12(14,15)16)4-8(13)6-9/h4-6,10H,2-3,17H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide?
(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 294.70 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 107570754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).