(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide

C13H19ClN2O — CID 103794106

IUPAC(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-2-4-12(15)13(17)16-8-7-10-5-3-6-11(14)9-10/h3,5-6,9,12H,2,4,7-8,15H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyZHPYAEOCEXKVTH-GFCCVEGCSA-N
MW254.76 g/mol
LogP2.13
Rot. Bonds6

About (2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide

(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide (PubChem CID 103794106) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
PubChem CID103794106
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-2-4-12(15)13(17)16-8-7-10-5-3-6-11(14)9-10/h3,5-6,9,12H,2,4,7-8,15H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyZHPYAEOCEXKVTH-GFCCVEGCSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide
CID 119339882
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
2-(3-chlorophenyl)ethylurea
CID 127513466
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide
CID 94784903
N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 55122740
2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119326202
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide (CID 103794106) is (2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide is CCC[C@@H](N)C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide?
The InChIKey is ZHPYAEOCEXKVTH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-4-12(15)13(17)16-8-7-10-5-3-6-11(14)9-10/h3,5-6,9,12H,2,4,7-8,15H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide?
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide has a molecular weight of 254.76 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide is sourced from PubChem (CID 103794106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).