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

C10H13ClN2O — CID 81378449

IUPAC2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN)c1ccccc1Cl
InChIInChI=1S/C10H13ClN2O/c1-7(13-10(14)6-12)8-4-2-3-5-9(8)11/h2-5,7H,6,12H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyCEDQBCMYOQPKEO-ZETCQYMHSA-N
MW212.68 g/mol
LogP1.48
Rot. Bonds3

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

2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide (PubChem CID 81378449) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
PubChem CID81378449
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN)c1ccccc1Cl
InChIInChI=1S/C10H13ClN2O/c1-7(13-10(14)6-12)8-4-2-3-5-9(8)11/h2-5,7H,6,12H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyCEDQBCMYOQPKEO-ZETCQYMHSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119327061
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
(3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide
CID 81378546
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81375536
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 7697704
N-[1-(2-chlorophenyl)ethyl]heptanamide
CID 57313827

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide (CID 81378449) is 2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide is C[C@H](NC(=O)CN)c1ccccc1Cl.
What is the InChIKey of 2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide?
The InChIKey is CEDQBCMYOQPKEO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(13-10(14)6-12)8-4-2-3-5-9(8)11/h2-5,7H,6,12H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide?
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide has a molecular weight of 212.68 g/mol, XLogP of 1.48, 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-(2-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 81378449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).