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

C13H17ClN2O — CID 96555027

IUPAC2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide
SMILESC[C@@H](c1cccc(Cl)c1)N(C(=O)CN)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-9(10-3-2-4-11(14)7-10)16(12-5-6-12)13(17)8-15/h2-4,7,9,12H,5-6,8,15H2,1H3/t9-/m0/s1
InChIKeyYSXNIAKRQUVIOY-VIFPVBQESA-N
MW252.75 g/mol
LogP2.35
Rot. Bonds4

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

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide (PubChem CID 96555027) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide
PubChem CID96555027
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide
SMILESC[C@@H](c1cccc(Cl)c1)N(C(=O)CN)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-9(10-3-2-4-11(14)7-10)16(12-5-6-12)13(17)8-15/h2-4,7,9,12H,5-6,8,15H2,1H3/t9-/m0/s1
InChIKeyYSXNIAKRQUVIOY-VIFPVBQESA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 66568506
3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119716831
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
4-amino-N-cyclopropyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120589542
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide (CID 96555027) is 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide is C[C@@H](c1cccc(Cl)c1)N(C(=O)CN)C1CC1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide?
The InChIKey is YSXNIAKRQUVIOY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(10-3-2-4-11(14)7-10)16(12-5-6-12)13(17)8-15/h2-4,7,9,12H,5-6,8,15H2,1H3/t9-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide?
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide has a molecular weight of 252.75 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 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]-N-cyclopropylacetamide is sourced from PubChem (CID 96555027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).