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

C11H15ClN2O — CID 94684847

IUPAC(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(13)11(15)14-7-6-9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyGHNJFHIPXQBIBR-QMMMGPOBSA-N
MW226.71 g/mol
LogP1.35
Rot. Bonds4

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

(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide (PubChem CID 94684847) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
PubChem CID94684847
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8(13)11(15)14-7-6-9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyGHNJFHIPXQBIBR-QMMMGPOBSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
2-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]benzoic acid
CID 78966496
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate
CID 6734048
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide (CID 94684847) is (2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide is C[C@H](N)C(=O)NCCc1ccccc1Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide?
The InChIKey is GHNJFHIPXQBIBR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8(13)11(15)14-7-6-9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide?
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide has a molecular weight of 226.71 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 94684847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).