(3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone

C21H23ClN2O2 — CID 135091372

IUPAC(3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C21H23ClN2O2/c22-18-14-16(8-9-19(18)23-11-4-5-12-23)20(25)24-13-10-21(26,15-24)17-6-2-1-3-7-17/h1-3,6-9,14,26H,4-5,10-13,15H2
InChIKeyFKLWCDWWDXNAQS-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.67
Rot. Bonds3

About (3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone

(3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone (PubChem CID 135091372) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is (3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone
PubChem CID135091372
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name(3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C21H23ClN2O2/c22-18-14-16(8-9-19(18)23-11-4-5-12-23)20(25)24-13-10-21(26,15-24)17-6-2-1-3-7-17/h1-3,6-9,14,26H,4-5,10-13,15H2
InChIKeyFKLWCDWWDXNAQS-UHFFFAOYSA-N
XLogP3.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone
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(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
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[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone
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[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
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[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
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1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
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3-chloro-4-(2,5-dihydropyrrol-1-yl)benzoic acid
CID 64683147
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
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(3-chloro-4-piperazin-1-ylphenyl)-(4-fluoro-4-methylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone (CID 135091372) is (3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone is O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCC(O)(c2ccccc2)C1.
What is the InChIKey of (3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is FKLWCDWWDXNAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-14-16(8-9-19(18)23-11-4-5-12-23)20(25)24-13-10-21(26,15-24)17-6-2-1-3-7-17/h1-3,6-9,14,26H,4-5,10-13,15H2.
What are the key properties of (3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone?
(3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 370.88 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 135091372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).