[1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone

C22H23ClN2O3 — CID 42680173

IUPAC[1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Cl)c1)N1CC(C(=O)N2CCOCC2)C(c2ccccc2)C1
InChIInChI=1S/C22H23ClN2O3/c23-18-8-4-7-17(13-18)21(26)25-14-19(16-5-2-1-3-6-16)20(15-25)22(27)24-9-11-28-12-10-24/h1-8,13,19-20H,9-12,14-15H2
InChIKeyCQONETTUWZSTLA-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.05
Rot. Bonds3

About [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone

[1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 42680173) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID42680173
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name[1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Cl)c1)N1CC(C(=O)N2CCOCC2)C(c2ccccc2)C1
InChIInChI=1S/C22H23ClN2O3/c23-18-8-4-7-17(13-18)21(26)25-14-19(16-5-2-1-3-6-16)20(15-25)22(27)24-9-11-28-12-10-24/h1-8,13,19-20H,9-12,14-15H2
InChIKeyCQONETTUWZSTLA-UHFFFAOYSA-N
XLogP3.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone 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

(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
(3-chlorophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489809
N-[2-(3,4-Dichloro-phenyl)-4-(3-morpholin-4-yl-azetidin-1-yl)-butyl]-N-methyl-benzamide
CID 10005190
(2-chlorophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489808
(4-chlorophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489810
methyl N-[1-[[(3S,4S)-1-(2-chlorobenzoyl)-4-phenyl-pyrrolidin-3-yl]methyl]-4-piperidyl]-N-(cyclopentylmethyl)carbamate
CID 490008
(4-Chlorophenyl)[2-(4-morpholinylcarbonyl)phenyl]methanone
CID 781328
(E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one
CID 2286301
(3-Chlorophenyl)[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
CID 3700490
1'-(3-Chlorobenzoyl)-4-(1-pyrrolidinylcarbonyl)-1,4'-bipiperidine
CID 24817339
4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide
CID 25163571
{3-[3-(4-Chloro-phenyl)-pyrrolidin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone
CID 44278297

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 42680173) is [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone is O=C(c1cccc(Cl)c1)N1CC(C(=O)N2CCOCC2)C(c2ccccc2)C1.
What is the InChIKey of [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CQONETTUWZSTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c23-18-8-4-7-17(13-18)21(26)25-14-19(16-5-2-1-3-6-16)20(15-25)22(27)24-9-11-28-12-10-24/h1-8,13,19-20H,9-12,14-15H2.
What are the key properties of [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone?
[1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 398.89 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42680173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).