(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide

C14H21ClN2O — CID 61258252

IUPAC(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-4-9(2)13(16)14(18)17-10(3)11-7-5-6-8-12(11)15/h5-10,13H,4,16H2,1-3H3,(H,17,18)/t9?,10?,13-/m0/s1
InChIKeyFCCLWKYJHGGQQQ-ZPPKWKGLSA-N
MW268.79 g/mol
LogP2.89
Rot. Bonds5

About (2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide

(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide (PubChem CID 61258252) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
PubChem CID61258252
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-4-9(2)13(16)14(18)17-10(3)11-7-5-6-8-12(11)15/h5-10,13H,4,16H2,1-3H3,(H,17,18)/t9?,10?,13-/m0/s1
InChIKeyFCCLWKYJHGGQQQ-ZPPKWKGLSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide
CID 81378675
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide (CID 61258252) is (2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide?
The InChIKey is FCCLWKYJHGGQQQ-ZPPKWKGLSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-9(2)13(16)14(18)17-10(3)11-7-5-6-8-12(11)15/h5-10,13H,4,16H2,1-3H3,(H,17,18)/t9?,10?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide?
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide has a molecular weight of 268.79 g/mol, XLogP of 2.89, 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-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 61258252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).