[1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone

C20H19Cl2NO — CID 11667635

IUPAC[1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2cccc(Cl)c2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19Cl2NO/c21-17-6-4-16(5-7-17)20(9-10-20)19(24)23-11-8-15(13-23)14-2-1-3-18(22)12-14/h1-7,12,15H,8-11,13H2
InChIKeyOVWWYOWSJCPFAM-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.04
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone

[1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 11667635) has the molecular formula C20H19Cl2NO and a molecular weight of 360.28 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID11667635
Molecular FormulaC20H19Cl2NO
Molecular Weight360.28 g/mol
Exact Mass359.08
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2cccc(Cl)c2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19Cl2NO/c21-17-6-4-16(5-7-17)20(9-10-20)19(24)23-11-8-15(13-23)14-2-1-3-18(22)12-14/h1-7,12,15H,8-11,13H2
InChIKeyOVWWYOWSJCPFAM-UHFFFAOYSA-N
XLogP5.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Spiro-carboxamide scaffold, 13
CID 44143299
3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573205
N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 24684626
Spiro-carboxamide scaffold, 2
CID 44143288
Spiro-carboxamide scaffold, 3
CID 44143289
Spiro-carboxamide scaffold, 5
CID 44143291
Spiro-carboxamide scaffold, 6
CID 44143292
Spiro-carboxamide scaffold, 9
CID 44143295
1,3,3a,4,5,9b-Hexahydrobenzo[e]isoindol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 11544850
3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 11551795
[1-(4-Chlorophenyl)cyclopropyl]-(4-phenylpiperidin-1-yl)methanone
CID 11588129
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-2-phenylpyrrolidine
CID 11595023

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone (CID 11667635) is [1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone is O=C(N1CCC(c2cccc(Cl)c2)C1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is OVWWYOWSJCPFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO/c21-17-6-4-16(5-7-17)20(9-10-20)19(24)23-11-8-15(13-23)14-2-1-3-18(22)12-14/h1-7,12,15H,8-11,13H2.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 360.28 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-[3-(3-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 11667635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).