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

C21H22ClNO2 — CID 174533591

IUPAC[1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone
SMILESCOc1cccc(C2CNC(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)c1
InChIInChI=1S/C21H22ClNO2/c1-25-18-4-2-3-14(11-18)15-12-19(23-13-15)20(24)21(9-10-21)16-5-7-17(22)8-6-16/h2-8,11,15,19,23H,9-10,12-13H2,1H3
InChIKeyZGTUSOUGKHDCFC-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.09
Rot. Bonds5

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

[1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone (PubChem CID 174533591) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone
PubChem CID174533591
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone
SMILESCOc1cccc(C2CNC(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)c1
InChIInChI=1S/C21H22ClNO2/c1-25-18-4-2-3-14(11-18)15-12-19(23-13-15)20(24)21(9-10-21)16-5-7-17(22)8-6-16/h2-8,11,15,19,23H,9-10,12-13H2,1H3
InChIKeyZGTUSOUGKHDCFC-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone (CID 174533591) is [1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone is COc1cccc(C2CNC(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)c1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone?
The InChIKey is ZGTUSOUGKHDCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2/c1-25-18-4-2-3-14(11-18)15-12-19(23-13-15)20(24)21(9-10-21)16-5-7-17(22)8-6-16/h2-8,11,15,19,23H,9-10,12-13H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone?
[1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone has a molecular weight of 355.87 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-[4-(3-methoxyphenyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 174533591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).