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

C13H16ClF3N2O — CID 107143843

IUPAC(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H16ClF3N2O/c1-2-3-4-10(18)12(20)19-11-7-8(13(15,16)17)5-6-9(11)14/h5-7,10H,2-4,18H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyFEZBABWRVYZYGL-JTQLQIEISA-N
MW308.73 g/mol
LogP3.81
Rot. Bonds5

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

(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide (PubChem CID 107143843) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
PubChem CID107143843
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H16ClF3N2O/c1-2-3-4-10(18)12(20)19-11-7-8(13(15,16)17)5-6-9(11)14/h5-7,10H,2-4,18H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyFEZBABWRVYZYGL-JTQLQIEISA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
CID 60852209
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542425
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 107143904
2-[[(2S)-2-aminopentanoyl]amino]-4-(trifluoromethyl)benzoic acid
CID 103871095
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
CID 119832122
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide (CID 107143843) is (2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide is CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide?
The InChIKey is FEZBABWRVYZYGL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-2-3-4-10(18)12(20)19-11-7-8(13(15,16)17)5-6-9(11)14/h5-7,10H,2-4,18H2,1H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide?
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide has a molecular weight of 308.73 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide is sourced from PubChem (CID 107143843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).