(4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone

C23H26ClNO2 — CID 151731311

IUPAC(4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCC2CCCN2C2CCCC2)cc1
InChIInChI=1S/C23H26ClNO2/c24-19-11-7-17(8-12-19)23(26)18-9-13-22(14-10-18)27-16-21-6-3-15-25(21)20-4-1-2-5-20/h7-14,20-21H,1-6,15-16H2
InChIKeyRKPQVTFHWWLRAA-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.36
Rot. Bonds6

About (4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone

(4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone (PubChem CID 151731311) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone
PubChem CID151731311
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name(4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCC2CCCN2C2CCCC2)cc1
InChIInChI=1S/C23H26ClNO2/c24-19-11-7-17(8-12-19)23(26)18-9-13-22(14-10-18)27-16-21-6-3-15-25(21)20-4-1-2-5-20/h7-14,20-21H,1-6,15-16H2
InChIKeyRKPQVTFHWWLRAA-UHFFFAOYSA-N
XLogP5.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone
CID 151788965
4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
CID 50846259
[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone
CID 152601566
4-[[(2R)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900609
3-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]propanoic acid
CID 68998465
tert-butyl (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 44819169
(4-bromophenyl)-[4-[(1-butylpyrrolidin-2-yl)methoxy]phenyl]methanone
CID 151929620
4-[(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]butanoic acid;hydrochloride
CID 44818987
4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid
CID 11725139
methyl 3-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidin-1-yl]propanoate
CID 69048046
(4-chlorophenyl)-[4-[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pentoxy]phenyl]methanone
CID 24994624
tert-butyl 2-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]acetate
CID 68999684

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone (CID 151731311) is (4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(OCC2CCCN2C2CCCC2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone?
The InChIKey is RKPQVTFHWWLRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO2/c24-19-11-7-17(8-12-19)23(26)18-9-13-22(14-10-18)27-16-21-6-3-15-25(21)20-4-1-2-5-20/h7-14,20-21H,1-6,15-16H2.
What are the key properties of (4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone?
(4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone has a molecular weight of 383.92 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 151731311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).