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

C11H15ClN2O — CID 81372048

IUPAC2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
SMILESCC(N)C(=O)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-7(13)11(15)14-8(2)9-4-3-5-10(12)6-9/h3-8H,13H2,1-2H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyOLUXNBVXNWJBQB-MQWKRIRWSA-N
MW226.71 g/mol
LogP1.86
Rot. Bonds3

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

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide (PubChem CID 81372048) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
PubChem CID81372048
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
SMILESCC(N)C(=O)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-7(13)11(15)14-8(2)9-4-3-5-10(12)6-9/h3-8H,13H2,1-2H3,(H,14,15)/t7?,8-/m0/s1
InChIKeyOLUXNBVXNWJBQB-MQWKRIRWSA-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

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
CID 47097502
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
CID 81372543
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide (CID 81372048) is 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide is CC(N)C(=O)N[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide?
The InChIKey is OLUXNBVXNWJBQB-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7(13)11(15)14-8(2)9-4-3-5-10(12)6-9/h3-8H,13H2,1-2H3,(H,14,15)/t7?,8-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide?
2-amino-N-[(1S)-1-(3-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-[(1S)-1-(3-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 81372048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).