1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide

C21H30ClN3O3 — CID 43050162

IUPAC1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CC(CNC(=O)C1CC(=O)N(c2ccccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C21H30ClN3O3/c1-15(2)11-17(24-7-9-28-10-8-24)13-23-21(27)16-12-20(26)25(14-16)19-6-4-3-5-18(19)22/h3-6,15-17H,7-14H2,1-2H3,(H,23,27)
InChIKeyQYMWMXUNYBDCFP-UHFFFAOYSA-N
MW407.94 g/mol
LogP2.56
Rot. Bonds7

About 1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide

1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43050162) has the molecular formula C21H30ClN3O3 and a molecular weight of 407.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43050162
Molecular FormulaC21H30ClN3O3
Molecular Weight407.94 g/mol
Exact Mass407.20
IUPAC Name1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CC(CNC(=O)C1CC(=O)N(c2ccccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C21H30ClN3O3/c1-15(2)11-17(24-7-9-28-10-8-24)13-23-21(27)16-12-20(26)25(14-16)19-6-4-3-5-18(19)22/h3-6,15-17H,7-14H2,1-2H3,(H,23,27)
InChIKeyQYMWMXUNYBDCFP-UHFFFAOYSA-N
XLogP2.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 51159436
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55609840
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55609929
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113189959
2-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119224981
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134027214
1-(2-chlorophenyl)-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119429656
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55382996
(3R)-N-[(2S)-butan-2-yl]-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124750296
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide (CID 43050162) is 1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CC(CNC(=O)C1CC(=O)N(c2ccccc2Cl)C1)N1CCOCC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QYMWMXUNYBDCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O3/c1-15(2)11-17(24-7-9-28-10-8-24)13-23-21(27)16-12-20(26)25(14-16)19-6-4-3-5-18(19)22/h3-6,15-17H,7-14H2,1-2H3,(H,23,27).
What are the key properties of 1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.94 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43050162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).