(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide

C13H19ClN2O — CID 107145880

IUPAC(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-4-8-11(15)13(17)16-12-9(2)6-5-7-10(12)14/h5-7,11H,3-4,8,15H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyDOPLMXFEXKOLKR-NSHDSACASA-N
MW254.76 g/mol
LogP3.10
Rot. Bonds5

About (2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide

(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide (PubChem CID 107145880) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
PubChem CID107145880
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-4-8-11(15)13(17)16-12-9(2)6-5-7-10(12)14/h5-7,11H,3-4,8,15H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyDOPLMXFEXKOLKR-NSHDSACASA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
(2S)-2-amino-N-(2-fluoro-6-methylphenyl)hexanamide
CID 107146650
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
CID 103830899
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride
CID 50986772
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide
CID 3060764
2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide (CID 107145880) is (2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide?
The InChIKey is DOPLMXFEXKOLKR-NSHDSACASA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-8-11(15)13(17)16-12-9(2)6-5-7-10(12)14/h5-7,11H,3-4,8,15H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide?
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide has a molecular weight of 254.76 g/mol, XLogP of 3.10, 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-6-methylphenyl)hexanamide is sourced from PubChem (CID 107145880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).