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

C13H17ClN2O — CID 81378498

IUPAC2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
SMILESC[C@@H](NCC(=O)NC1CC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9(11-4-2-3-5-12(11)14)15-8-13(17)16-10-6-7-10/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyNGGLEHUHHMCSGX-SECBINFHSA-N
MW252.75 g/mol
LogP2.27
Rot. Bonds5

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

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide (PubChem CID 81378498) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
PubChem CID81378498
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
SMILESC[C@@H](NCC(=O)NC1CC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9(11-4-2-3-5-12(11)14)15-8-13(17)16-10-6-7-10/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyNGGLEHUHHMCSGX-SECBINFHSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8599057
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 8710351
2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide
CID 86918952
N-cycloheptyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]acetamide
CID 81363494
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 84869554
N-cycloheptyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60673176
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide (CID 81378498) is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide is C[C@@H](NCC(=O)NC1CC1)c1ccccc1Cl.
What is the InChIKey of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide?
The InChIKey is NGGLEHUHHMCSGX-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(11-4-2-3-5-12(11)14)15-8-13(17)16-10-6-7-10/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide?
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide has a molecular weight of 252.75 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 81378498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).