N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide

C17H23ClN2O — CID 119715165

IUPACN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
SMILESCC(c1ccccc1Cl)N(C(=O)CC1CCCN1)C1CC1
InChIInChI=1S/C17H23ClN2O/c1-12(15-6-2-3-7-16(15)18)20(14-8-9-14)17(21)11-13-5-4-10-19-13/h2-3,6-7,12-14,19H,4-5,8-11H2,1H3
InChIKeyDBOGRAZRANEXHN-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.53
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide

N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide (PubChem CID 119715165) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
PubChem CID119715165
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
SMILESCC(c1ccccc1Cl)N(C(=O)CC1CCCN1)C1CC1
InChIInChI=1S/C17H23ClN2O/c1-12(15-6-2-3-7-16(15)18)20(14-8-9-14)17(21)11-13-5-4-10-19-13/h2-3,6-7,12-14,19H,4-5,8-11H2,1H3
InChIKeyDBOGRAZRANEXHN-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936465
N-cyclopropyl-N-propan-2-yl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119728069
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364284
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
(2S)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164109
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide
CID 78884246
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate
CID 78852776
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783362
N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106599402

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide (CID 119715165) is N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide is CC(c1ccccc1Cl)N(C(=O)CC1CCCN1)C1CC1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is DBOGRAZRANEXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-12(15-6-2-3-7-16(15)18)20(14-8-9-14)17(21)11-13-5-4-10-19-13/h2-3,6-7,12-14,19H,4-5,8-11H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide?
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 306.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119715165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).