[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

C24H21Cl2NO2 — CID 166659086

IUPAC[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2)c(Cl)c1
InChIInChI=1S/C24H21Cl2NO2/c1-29-18-12-13-19(22(26)15-18)16-8-10-17(11-9-16)24(28)27-14-4-7-23(27)20-5-2-3-6-21(20)25/h2-3,5-6,8-13,15,23H,4,7,14H2,1H3/t23-/m1/s1
InChIKeyDWLFTEKGSUETBR-HSZRJFAPSA-N
MW426.34 g/mol
LogP6.65
Rot. Bonds4

About [4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 166659086) has the molecular formula C24H21Cl2NO2 and a molecular weight of 426.34 g/mol. Its IUPAC name is [4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID166659086
Molecular FormulaC24H21Cl2NO2
Molecular Weight426.34 g/mol
Exact Mass425.09
IUPAC Name[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2)c(Cl)c1
InChIInChI=1S/C24H21Cl2NO2/c1-29-18-12-13-19(22(26)15-18)16-8-10-17(11-9-16)24(28)27-14-4-7-23(27)20-5-2-3-6-21(20)25/h2-3,5-6,8-13,15,23H,4,7,14H2,1H3/t23-/m1/s1
InChIKeyDWLFTEKGSUETBR-HSZRJFAPSA-N
XLogP6.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.34
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 67257578
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 51611901
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone
CID 166659093
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone
CID 166659077
1-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 94627524
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]methanone
CID 118111663
1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 94080739
(2S)-5-(2-chlorophenyl)-1-[4-(2-cyano-4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 139450306
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 63524414
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (CID 166659086) is [4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is COc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2)c(Cl)c1.
What is the InChIKey of [4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is DWLFTEKGSUETBR-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H21Cl2NO2/c1-29-18-12-13-19(22(26)15-18)16-8-10-17(11-9-16)24(28)27-14-4-7-23(27)20-5-2-3-6-21(20)25/h2-3,5-6,8-13,15,23H,4,7,14H2,1H3/t23-/m1/s1.
What are the key properties of [4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 426.34 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166659086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).