(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

C17H23ClN2O2 — CID 124592867

IUPAC(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(Cl)cc(C(=O)N2CC[C@H](CN3CCOCC3)C2)c1
InChIInChI=1S/C17H23ClN2O2/c1-13-8-15(10-16(18)9-13)17(21)20-3-2-14(12-20)11-19-4-6-22-7-5-19/h8-10,14H,2-7,11-12H2,1H3/t14-/m1/s1
InChIKeyNZMWDCRJHNTJCN-CQSZACIVSA-N
MW322.84 g/mol
LogP2.44
Rot. Bonds3

About (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 124592867) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID124592867
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(Cl)cc(C(=O)N2CC[C@H](CN3CCOCC3)C2)c1
InChIInChI=1S/C17H23ClN2O2/c1-13-8-15(10-16(18)9-13)17(21)20-3-2-14(12-20)11-19-4-6-22-7-5-19/h8-10,14H,2-7,11-12H2,1H3/t14-/m1/s1
InChIKeyNZMWDCRJHNTJCN-CQSZACIVSA-N
XLogP2.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-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

[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81323048
(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78902470
N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 75510503
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
(4-bromopiperidin-1-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324253
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3,5-dichlorophenyl)methanone
CID 114801176
4-(3-chloro-5-methylbenzoyl)morpholine-2-carbonitrile
CID 81005565
(3-chloro-5-fluorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133113901
(2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 110304852
2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120670473
1-(3-chloro-5-methylphenyl)-2-(oxan-4-yl)ethanone
CID 114969186
(3-fluoro-5-methylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538422

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 124592867) is (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is Cc1cc(Cl)cc(C(=O)N2CC[C@H](CN3CCOCC3)C2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NZMWDCRJHNTJCN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-13-8-15(10-16(18)9-13)17(21)20-3-2-14(12-20)11-19-4-6-22-7-5-19/h8-10,14H,2-7,11-12H2,1H3/t14-/m1/s1.
What are the key properties of (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 322.84 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124592867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).