2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide

C17H23ClN2O — CID 86918952

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide
SMILESCC(NCC(=O)NC(C1CC1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O/c1-11(14-4-2-3-5-15(14)18)19-10-16(21)20-17(12-6-7-12)13-8-9-13/h2-5,11-13,17,19H,6-10H2,1H3,(H,20,21)
InChIKeyAJJQFIMKQPPPFV-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.30
Rot. Bonds7

About 2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide

2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide (PubChem CID 86918952) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide
PubChem CID86918952
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide
SMILESCC(NCC(=O)NC(C1CC1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O/c1-11(14-4-2-3-5-15(14)18)19-10-16(21)20-17(12-6-7-12)13-8-9-13/h2-5,11-13,17,19H,6-10H2,1H3,(H,20,21)
InChIKeyAJJQFIMKQPPPFV-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8599057
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 8710351
2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide
CID 47118036
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9306812

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide (CID 86918952) is 2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide is CC(NCC(=O)NC(C1CC1)C1CC1)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide?
The InChIKey is AJJQFIMKQPPPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-11(14-4-2-3-5-15(14)18)19-10-16(21)20-17(12-6-7-12)13-8-9-13/h2-5,11-13,17,19H,6-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide has a molecular weight of 306.84 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide is sourced from PubChem (CID 86918952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).