(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide

C12H17ClN2O — CID 22690865

IUPAC(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-3-8(2)11(14)12(16)15-10-6-4-9(13)5-7-10/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8?,11-/m0/s1
InChIKeyVJDCEQQQZSYJEV-LYNSQETBSA-N
MW240.73 g/mol
LogP2.65
Rot. Bonds4

About (2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide

(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide (PubChem CID 22690865) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
PubChem CID22690865
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-3-8(2)11(14)12(16)15-10-6-4-9(13)5-7-10/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8?,11-/m0/s1
InChIKeyVJDCEQQQZSYJEV-LYNSQETBSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide (CID 22690865) is (2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide?
The InChIKey is VJDCEQQQZSYJEV-LYNSQETBSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-8(2)11(14)12(16)15-10-6-4-9(13)5-7-10/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide?
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide has a molecular weight of 240.73 g/mol, XLogP of 2.65, 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-(4-chlorophenyl)-3-methylpentanamide is sourced from PubChem (CID 22690865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).