(7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone

C18H16ClNO3 — CID 24658230

IUPAC(7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)c2c(c1)OCO2)N1CCCC1c1ccccc1
InChIInChI=1S/C18H16ClNO3/c19-14-9-13(10-16-17(14)23-11-22-16)18(21)20-8-4-7-15(20)12-5-2-1-3-6-12/h1-3,5-6,9-10,15H,4,7-8,11H2
InChIKeyDSWBZXZJPUDAMN-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.05
Rot. Bonds2

About (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone

(7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 24658230) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID24658230
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name(7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)c2c(c1)OCO2)N1CCCC1c1ccccc1
InChIInChI=1S/C18H16ClNO3/c19-14-9-13(10-16-17(14)23-11-22-16)18(21)20-8-4-7-15(20)12-5-2-1-3-6-12/h1-3,5-6,9-10,15H,4,7-8,11H2
InChIKeyDSWBZXZJPUDAMN-UHFFFAOYSA-N
XLogP4.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-chloro-1,3-benzodioxol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55396105
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100
(7-chloro-1,3-benzodioxol-5-yl)-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779437
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 55495723
(3S)-1-(7-chloro-1,3-benzodioxole-5-carbonyl)piperidine-3-carboxylic acid
CID 78925377
(7-chloro-1,3-benzodioxol-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224669
azepan-1-yl-(7-chloro-1,3-benzodioxol-5-yl)methanone
CID 9401585
(7-chloro-1,3-benzodioxol-5-yl)-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 95348664
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
(4-benzylpiperazin-1-yl)-(7-chloro-1,3-benzodioxol-5-yl)methanone
CID 9402325
(3-aminopiperidin-1-yl)-(7-chloro-1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 119381462
(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 55731293

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone (CID 24658230) is (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1cc(Cl)c2c(c1)OCO2)N1CCCC1c1ccccc1.
What is the InChIKey of (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is DSWBZXZJPUDAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c19-14-9-13(10-16-17(14)23-11-22-16)18(21)20-8-4-7-15(20)12-5-2-1-3-6-12/h1-3,5-6,9-10,15H,4,7-8,11H2.
What are the key properties of (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone?
(7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 329.78 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 24658230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).