(2S)-2-amino-N-(2-chlorophenyl)hexanamide

C12H17ClN2O — CID 103830834

IUPAC(2S)-2-amino-N-(2-chlorophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-2-3-7-10(14)12(16)15-11-8-5-4-6-9(11)13/h4-6,8,10H,2-3,7,14H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyMTRIMVDLLQDACC-JTQLQIEISA-N
MW240.73 g/mol
LogP2.80
Rot. Bonds5

About (2S)-2-amino-N-(2-chlorophenyl)hexanamide

(2S)-2-amino-N-(2-chlorophenyl)hexanamide (PubChem CID 103830834) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chlorophenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chlorophenyl)hexanamide
PubChem CID103830834
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2S)-2-amino-N-(2-chlorophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-2-3-7-10(14)12(16)15-11-8-5-4-6-9(11)13/h4-6,8,10H,2-3,7,14H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyMTRIMVDLLQDACC-JTQLQIEISA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-chlorophenyl)-4-methylsulfanylbutanamide
CID 104906824
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 107144309
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 107143904
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chlorophenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-chlorophenyl)hexanamide (CID 103830834) is (2S)-2-amino-N-(2-chlorophenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chlorophenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chlorophenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2-chlorophenyl)hexanamide?
The InChIKey is MTRIMVDLLQDACC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-3-7-10(14)12(16)15-11-8-5-4-6-9(11)13/h4-6,8,10H,2-3,7,14H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chlorophenyl)hexanamide?
(2S)-2-amino-N-(2-chlorophenyl)hexanamide has a molecular weight of 240.73 g/mol, XLogP of 2.80, 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-chlorophenyl)hexanamide is sourced from PubChem (CID 103830834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).