1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

C20H22ClNO2 — CID 50747071

IUPAC1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCC2c2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClNO2/c1-24-16-11-8-15(9-12-16)10-13-20(23)22-14-4-7-19(22)17-5-2-3-6-18(17)21/h2-3,5-6,8-9,11-12,19H,4,7,10,13-14H2,1H3
InChIKeyAWEHWQPKTFZFLZ-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.64
Rot. Bonds5

About 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one (PubChem CID 50747071) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
PubChem CID50747071
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCC2c2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClNO2/c1-24-16-11-8-15(9-12-16)10-13-20(23)22-14-4-7-19(22)17-5-2-3-6-18(17)21/h2-3,5-6,8-9,11-12,19H,4,7,10,13-14H2,1H3
InChIKeyAWEHWQPKTFZFLZ-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 2843164
(3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxyphenyl)-7-ethyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746348
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 7688715
4-chloro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 2093192
3-(4-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573197
6-(2-Chloro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69082665
2-(2-Chlorophenyl)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one
CID 122243063
2-(2,6-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2096272
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 2461366
3-(5-Chloro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyridin-2-one
CID 9822756
2-(3,4-Dichloro-phenyl)-N-[1-(2-methoxy-phenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-acetamide
CID 15130844

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one (CID 50747071) is 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)N2CCCC2c2ccccc2Cl)cc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is AWEHWQPKTFZFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-24-16-11-8-15(9-12-16)10-13-20(23)22-14-4-7-19(22)17-5-2-3-6-18(17)21/h2-3,5-6,8-9,11-12,19H,4,7,10,13-14H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 343.85 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 50747071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).