[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone

C21H22ClNO — CID 11609792

IUPAC[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C21H22ClNO/c1-15-4-2-3-5-19(15)16-10-13-23(14-16)20(24)21(11-12-21)17-6-8-18(22)9-7-17/h2-9,16H,10-14H2,1H3
InChIKeySLYMYTOHAQEAEM-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.70
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone

[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 11609792) has the molecular formula C21H22ClNO and a molecular weight of 339.87 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID11609792
Molecular FormulaC21H22ClNO
Molecular Weight339.87 g/mol
Exact Mass339.14
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C21H22ClNO/c1-15-4-2-3-5-19(15)16-10-13-23(14-16)20(24)21(11-12-21)17-6-8-18(22)9-7-17/h2-9,16H,10-14H2,1H3
InChIKeySLYMYTOHAQEAEM-UHFFFAOYSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Spiro-carboxamide scaffold, 13
CID 44143299
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
[1-(4-Chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 11638939

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 11609792) is [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccccc1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is SLYMYTOHAQEAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO/c1-15-4-2-3-5-19(15)16-10-13-23(14-16)20(24)21(11-12-21)17-6-8-18(22)9-7-17/h2-9,16H,10-14H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 339.87 g/mol, XLogP of 4.70, 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-(2-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 11609792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).