N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide

C20H23ClN2O — CID 78896142

IUPACN-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide
SMILESCC(NCC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O/c1-15(18-9-5-6-10-19(18)21)22-13-20(24)23(17-11-12-17)14-16-7-3-2-4-8-16/h2-10,15,17,22H,11-14H2,1H3
InChIKeyMAYAZVNBELHPFX-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.18
Rot. Bonds7

About N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide

N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide (PubChem CID 78896142) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide
PubChem CID78896142
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide
SMILESCC(NCC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O/c1-15(18-9-5-6-10-19(18)21)22-13-20(24)23(17-11-12-17)14-16-7-3-2-4-8-16/h2-10,15,17,22H,11-14H2,1H3
InChIKeyMAYAZVNBELHPFX-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide
CID 78825273
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81379327
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
N-cyclopropyl-N-ethyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60969214
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8599057
2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide
CID 86918952
2-[1-(2-chlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 78826405
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9306812
2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride
CID 119703213
N-benzyl-2-(cyclopentylamino)-N-cyclopropylacetamide
CID 60846421
2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]prop-2-enoic acid
CID 103260158

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide?
The IUPAC name of N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide (CID 78896142) is N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide.
What is the SMILES notation for N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide?
The canonical SMILES for N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide is CC(NCC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1Cl.
What is the InChIKey of N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide?
The InChIKey is MAYAZVNBELHPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15(18-9-5-6-10-19(18)21)22-13-20(24)23(17-11-12-17)14-16-7-3-2-4-8-16/h2-10,15,17,22H,11-14H2,1H3.
What are the key properties of N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide?
N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide has a molecular weight of 342.87 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 78896142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).