[4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone

C19H20ClNO2 — CID 3820836

IUPAC[4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CN(C)CC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO2/c1-21-11-17(13-6-8-15(20)9-7-13)18(12-21)19(22)14-4-3-5-16(10-14)23-2/h3-10,17-18H,11-12H2,1-2H3
InChIKeyHVRINZSEISPUSB-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.88
Rot. Bonds4

About [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone

[4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone (PubChem CID 3820836) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone
PubChem CID3820836
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name[4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CN(C)CC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO2/c1-21-11-17(13-6-8-15(20)9-7-13)18(12-21)19(22)14-4-3-5-16(10-14)23-2/h3-10,17-18H,11-12H2,1-2H3
InChIKeyHVRINZSEISPUSB-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone (CID 3820836) is [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2CN(C)CC2c2ccc(Cl)cc2)c1.
What is the InChIKey of [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone?
The InChIKey is HVRINZSEISPUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-21-11-17(13-6-8-15(20)9-7-13)18(12-21)19(22)14-4-3-5-16(10-14)23-2/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone?
[4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone has a molecular weight of 329.83 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 3820836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).