2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide

C17H22ClN3O3 — CID 87036056

IUPAC2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
SMILESO=C(CNC(=O)N1CCOC(c2ccc(Cl)cc2)C1)N1CCCC1
InChIInChI=1S/C17H22ClN3O3/c18-14-5-3-13(4-6-14)15-12-21(9-10-24-15)17(23)19-11-16(22)20-7-1-2-8-20/h3-6,15H,1-2,7-12H2,(H,19,23)
InChIKeyHPJUUUNULCAIEG-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.05
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide

2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide (PubChem CID 87036056) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
PubChem CID87036056
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
SMILESO=C(CNC(=O)N1CCOC(c2ccc(Cl)cc2)C1)N1CCCC1
InChIInChI=1S/C17H22ClN3O3/c18-14-5-3-13(4-6-14)15-12-21(9-10-24-15)17(23)19-11-16(22)20-7-1-2-8-20/h3-6,15H,1-2,7-12H2,(H,19,23)
InChIKeyHPJUUUNULCAIEG-UHFFFAOYSA-N
XLogP2.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide 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

ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide (CID 87036056) is 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide is O=C(CNC(=O)N1CCOC(c2ccc(Cl)cc2)C1)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide?
The InChIKey is HPJUUUNULCAIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-14-5-3-13(4-6-14)15-12-21(9-10-24-15)17(23)19-11-16(22)20-7-1-2-8-20/h3-6,15H,1-2,7-12H2,(H,19,23).
What are the key properties of 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide?
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 87036056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).