[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone

C25H24ClNO3 — CID 166659093

IUPAC[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone
SMILESCOc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClNO3/c1-29-23-10-4-5-11-24(23)30-17-18-12-14-19(15-13-18)25(28)27-16-6-9-22(27)20-7-2-3-8-21(20)26/h2-5,7-8,10-15,22H,6,9,16-17H2,1H3/t22-/m1/s1
InChIKeyDXKOIUSUCCWGHG-JOCHJYFZSA-N
MW421.92 g/mol
LogP5.90
Rot. Bonds6

About [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone

[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone (PubChem CID 166659093) has the molecular formula C25H24ClNO3 and a molecular weight of 421.92 g/mol. Its IUPAC name is [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone
PubChem CID166659093
Molecular FormulaC25H24ClNO3
Molecular Weight421.92 g/mol
Exact Mass421.14
IUPAC Name[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone
SMILESCOc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClNO3/c1-29-23-10-4-5-11-24(23)30-17-18-12-14-19(15-13-18)25(28)27-16-6-9-22(27)20-7-2-3-8-21(20)26/h2-5,7-8,10-15,22H,6,9,16-17H2,1H3/t22-/m1/s1
InChIKeyDXKOIUSUCCWGHG-JOCHJYFZSA-N
XLogP5.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.92
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone
CID 166659077
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 166659086
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 95249369
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 67257578
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 94080739
[2-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone
CID 119634307
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 55453365

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone?
The IUPAC name of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone (CID 166659093) is [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone.
What is the SMILES notation for [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone?
The canonical SMILES for [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone is COc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1.
What is the InChIKey of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone?
The InChIKey is DXKOIUSUCCWGHG-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24ClNO3/c1-29-23-10-4-5-11-24(23)30-17-18-12-14-19(15-13-18)25(28)27-16-6-9-22(27)20-7-2-3-8-21(20)26/h2-5,7-8,10-15,22H,6,9,16-17H2,1H3/t22-/m1/s1.
What are the key properties of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone?
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone has a molecular weight of 421.92 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone is sourced from PubChem (CID 166659093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).