2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone

C19H20ClNO — CID 50747380

IUPAC2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1cccc(C2CCCN2C(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClNO/c1-14-5-2-7-16(11-14)18-9-4-10-21(18)19(22)13-15-6-3-8-17(20)12-15/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3
InChIKeyKYKRUFMIOUJITI-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.55
Rot. Bonds3

About 2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747380) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747380
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1cccc(C2CCCN2C(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClNO/c1-14-5-2-7-16(11-14)18-9-4-10-21(18)19(22)13-15-6-3-8-17(20)12-15/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3
InChIKeyKYKRUFMIOUJITI-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25011732
m-Chlorobenzylamide, 2
CID 44237081
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573205
Spiro-carboxamide scaffold, 9
CID 44143295
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-2-phenylpyrrolidine
CID 11595023
[1-(4-Chlorophenyl)cyclopropyl]-[3-(2,6-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 11638939
2-(3,4-Dichloro-phenyl)-N-methyl-N-((R)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 14804469
3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573206
Benzeneacetamide, 3,4-dichloro-N-methyl-N-((1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl)-, hydrochloride (1:1)
CID 3082717

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone (CID 50747380) is 2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1cccc(C2CCCN2C(=O)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is KYKRUFMIOUJITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-14-5-2-7-16(11-14)18-9-4-10-21(18)19(22)13-15-6-3-8-17(20)12-15/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 313.83 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).