(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide

C15H23ClN2O — CID 61156026

IUPAC(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)Cc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10(2)8-14(17)15(19)18-11(3)9-12-6-4-5-7-13(12)16/h4-7,10-11,14H,8-9,17H2,1-3H3,(H,18,19)/t11?,14-/m0/s1
InChIKeyXPMUKLXQSNNDJF-IAXJKZSUSA-N
MW282.81 g/mol
LogP2.76
Rot. Bonds6

About (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide

(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide (PubChem CID 61156026) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
PubChem CID61156026
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)Cc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10(2)8-14(17)15(19)18-11(3)9-12-6-4-5-7-13(12)16/h4-7,10-11,14H,8-9,17H2,1-3H3,(H,18,19)/t11?,14-/m0/s1
InChIKeyXPMUKLXQSNNDJF-IAXJKZSUSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
1-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(2-chlorophenyl)methyl]urea
CID 58917814
(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
CID 104903571
3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 81489482
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 79796905
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide
CID 119773059
(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide
CID 119806715
(2S)-2-amino-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 18394511
4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide (CID 61156026) is (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC(C)Cc1ccccc1Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide?
The InChIKey is XPMUKLXQSNNDJF-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(2)8-14(17)15(19)18-11(3)9-12-6-4-5-7-13(12)16/h4-7,10-11,14H,8-9,17H2,1-3H3,(H,18,19)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide?
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide has a molecular weight of 282.81 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 61156026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).