2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide

C17H24ClN2O+ — CID 4173138

IUPAC2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccc(Cl)cc1)[NH+]1CCCC1
InChIInChI=1S/C17H23ClN2O/c18-14-9-7-13(8-10-14)16(20-11-3-4-12-20)17(21)19-15-5-1-2-6-15/h7-10,15-16H,1-6,11-12H2,(H,19,21)/p+1
InChIKeyZOANNWJCJCKKQO-UHFFFAOYSA-O
MW307.84 g/mol
LogP2.12
Rot. Bonds4

About 2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide

2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide (PubChem CID 4173138) has the molecular formula C17H24ClN2O+ and a molecular weight of 307.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide
PubChem CID4173138
Molecular FormulaC17H24ClN2O+
Molecular Weight307.84 g/mol
Exact Mass307.16
IUPAC Name2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccc(Cl)cc1)[NH+]1CCCC1
InChIInChI=1S/C17H23ClN2O/c18-14-9-7-13(8-10-14)16(20-11-3-4-12-20)17(21)19-15-5-1-2-6-15/h7-10,15-16H,1-6,11-12H2,(H,19,21)/p+1
InChIKeyZOANNWJCJCKKQO-UHFFFAOYSA-O
XLogP2.12
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.84
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 4995554
2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 4995547
N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 4586622
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
CID 8635750
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441709
N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide
CID 4594936
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide (CID 4173138) is 2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide is O=C(NC1CCCC1)C(c1ccc(Cl)cc1)[NH+]1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide?
The InChIKey is ZOANNWJCJCKKQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23ClN2O/c18-14-9-7-13(8-10-14)16(20-11-3-4-12-20)17(21)19-15-5-1-2-6-15/h7-10,15-16H,1-6,11-12H2,(H,19,21)/p+1.
What are the key properties of 2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide?
2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide has a molecular weight of 307.84 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide is sourced from PubChem (CID 4173138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).