[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone

C23H21ClN2O2 — CID 166659077

IUPAC[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone
SMILESCOc1ccccc1-c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)cn1
InChIInChI=1S/C23H21ClN2O2/c1-28-22-11-5-3-8-18(22)20-13-12-16(15-25-20)23(27)26-14-6-10-21(26)17-7-2-4-9-19(17)24/h2-5,7-9,11-13,15,21H,6,10,14H2,1H3/t21-/m1/s1
InChIKeyNGFXFPIKOJBRBC-OAQYLSRUSA-N
MW392.89 g/mol
LogP5.39
Rot. Bonds4

About [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone

[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone (PubChem CID 166659077) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone
PubChem CID166659077
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone
SMILESCOc1ccccc1-c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)cn1
InChIInChI=1S/C23H21ClN2O2/c1-28-22-11-5-3-8-18(22)20-13-12-16(15-25-20)23(27)26-14-6-10-21(26)17-7-2-4-9-19(17)24/h2-5,7-9,11-13,15,21H,6,10,14H2,1H3/t21-/m1/s1
InChIKeyNGFXFPIKOJBRBC-OAQYLSRUSA-N
XLogP5.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone
CID 166659093
[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
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118879489
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 67257578
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 55532223
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 95249369

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone?
The IUPAC name of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone (CID 166659077) is [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone?
The canonical SMILES for [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone is COc1ccccc1-c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)cn1.
What is the InChIKey of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone?
The InChIKey is NGFXFPIKOJBRBC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-28-22-11-5-3-8-18(22)20-13-12-16(15-25-20)23(27)26-14-6-10-21(26)17-7-2-4-9-19(17)24/h2-5,7-9,11-13,15,21H,6,10,14H2,1H3/t21-/m1/s1.
What are the key properties of [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone?
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone has a molecular weight of 392.89 g/mol, XLogP of 5.39, 4 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]-[6-(2-methoxyphenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 166659077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).