1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide

C20H19ClN2O3 — CID 55825930

IUPAC1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCOc2ccccc21)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19ClN2O3/c21-14-5-7-15(8-6-14)23-12-13(11-19(23)24)20(25)22-17-9-10-26-18-4-2-1-3-16(17)18/h1-8,13,17H,9-12H2,(H,22,25)
InChIKeyNGXYJEDTDLASCU-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.33
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55825930) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55825930
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCOc2ccccc21)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19ClN2O3/c21-14-5-7-15(8-6-14)23-12-13(11-19(23)24)20(25)22-17-9-10-26-18-4-2-1-3-16(17)18/h1-8,13,17H,9-12H2,(H,22,25)
InChIKeyNGXYJEDTDLASCU-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108733838
(3S)-1-(2-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 41105707
N-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18193053
1-(4-butylphenyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 108764770
(3S)-1-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 51546866
1-tert-butyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 108757191
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108764768
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
(3R)-5-oxo-1-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 93017475
(3S)-1-ethyl-5-oxo-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidine-3-carboxamide
CID 95309657

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 55825930) is 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCOc2ccccc21)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NGXYJEDTDLASCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-14-5-7-15(8-6-14)23-12-13(11-19(23)24)20(25)22-17-9-10-26-18-4-2-1-3-16(17)18/h1-8,13,17H,9-12H2,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55825930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).