[1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone

C20H19Cl2NO — CID 174533706

IUPAC[1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CC(c2ccc(Cl)cc2)CN1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19Cl2NO/c21-16-5-1-13(2-6-16)14-11-18(23-12-14)19(24)20(9-10-20)15-3-7-17(22)8-4-15/h1-8,14,18,23H,9-12H2
InChIKeyFZUZAEIBGMRJKS-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.74
Rot. Bonds4

About [1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone

[1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone (PubChem CID 174533706) has the molecular formula C20H19Cl2NO and a molecular weight of 360.28 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone
PubChem CID174533706
Molecular FormulaC20H19Cl2NO
Molecular Weight360.28 g/mol
Exact Mass359.08
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CC(c2ccc(Cl)cc2)CN1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19Cl2NO/c21-16-5-1-13(2-6-16)14-11-18(23-12-14)19(24)20(9-10-20)15-3-7-17(22)8-4-15/h1-8,14,18,23H,9-12H2
InChIKeyFZUZAEIBGMRJKS-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone
CID 174533591
[1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutyl]-[4-(3-chlorophenyl)pyrrolidin-2-yl]methanone
CID 174533650
methyl (2R,5S)-5-(4-chlorophenyl)piperidine-2-carboxylate
CID 96530360
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 116988322
(2S)-4-phenylpyrrolidine-2-carboxamide
CID 171062215
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[1-(4-chlorophenyl)cyclopropyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119636111
1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119450721
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone (CID 174533706) is [1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone is O=C(C1CC(c2ccc(Cl)cc2)CN1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone?
The InChIKey is FZUZAEIBGMRJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO/c21-16-5-1-13(2-6-16)14-11-18(23-12-14)19(24)20(9-10-20)15-3-7-17(22)8-4-15/h1-8,14,18,23H,9-12H2.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone?
[1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone has a molecular weight of 360.28 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 174533706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).