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

C19H20ClNO — CID 50747290

IUPAC2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1C1CCCN1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H20ClNO/c1-14-7-2-4-9-16(14)18-11-6-12-21(18)19(22)13-15-8-3-5-10-17(15)20/h2-5,7-10,18H,6,11-13H2,1H3
InChIKeyBAWJNCOVQCQGKY-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.55
Rot. Bonds3

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

2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747290) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747290
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1C1CCCN1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H20ClNO/c1-14-7-2-4-9-16(14)18-11-6-12-21(18)19(22)13-15-8-3-5-10-17(15)20/h2-5,7-10,18H,6,11-13H2,1H3
InChIKeyBAWJNCOVQCQGKY-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
(2r)-2-Amino-3-(2,4-Dichlorophenyl)-1-(1,3-Dihydro-2h-Isoindol-2-Yl)propan-1-One
CID 53357987
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
Spiro-carboxamide scaffold, 9
CID 44143295
[2-chloro-4-(2-methylphenyl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 46890440
2-chloro-N-cyclohexyl-N-methylbenzamide
CID 306655
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-2-phenylpyrrolidine
CID 11595023
1-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-3-(2-methylphenyl)pyrrolidine
CID 11609792
[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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone (CID 50747290) is 2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1ccccc1C1CCCN1C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is BAWJNCOVQCQGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-14-7-2-4-9-16(14)18-11-6-12-21(18)19(22)13-15-8-3-5-10-17(15)20/h2-5,7-10,18H,6,11-13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[2-(2-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-(2-chlorophenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).