2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide

C11H15ClN2O — CID 81378427

IUPAC2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
SMILESCC(N)C(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-7(13)11(15)14-8(2)9-5-3-4-6-10(9)12/h3-8H,13H2,1-2H3,(H,14,15)/t7?,8-/m1/s1
InChIKeyAJNRGVHOGPXEHH-BRFYHDHCSA-N
MW226.71 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide

2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide (PubChem CID 81378427) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
PubChem CID81378427
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
SMILESCC(N)C(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-7(13)11(15)14-8(2)9-5-3-4-6-10(9)12/h3-8H,13H2,1-2H3,(H,14,15)/t7?,8-/m1/s1
InChIKeyAJNRGVHOGPXEHH-BRFYHDHCSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 93238063
2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide
CID 81378675
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide (CID 81378427) is 2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide is CC(N)C(=O)N[C@H](C)c1ccccc1Cl.
What is the InChIKey of 2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide?
The InChIKey is AJNRGVHOGPXEHH-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7(13)11(15)14-8(2)9-5-3-4-6-10(9)12/h3-8H,13H2,1-2H3,(H,14,15)/t7?,8-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide?
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide has a molecular weight of 226.71 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 81378427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).