N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide

C17H15ClN2O4 — CID 91785260

IUPACN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)o1
InChIInChI=1S/C17H15ClN2O4/c1-10-6-14(21)8-15(24-10)17(23)19-12-7-16(22)20(9-12)13-4-2-11(18)3-5-13/h2-6,8,12H,7,9H2,1H3,(H,19,23)
InChIKeyQZIXTFYLJSTUTK-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.14
Rot. Bonds3

About N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide

N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 91785260) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide
PubChem CID91785260
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC NameN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)o1
InChIInChI=1S/C17H15ClN2O4/c1-10-6-14(21)8-15(24-10)17(23)19-12-7-16(22)20(9-12)13-4-2-11(18)3-5-13/h2-6,8,12H,7,9H2,1H3,(H,19,23)
InChIKeyQZIXTFYLJSTUTK-UHFFFAOYSA-N
XLogP2.14
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-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

N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
5-chloro-2-methoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548591
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 43970488
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7255711
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7549059
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide (CID 91785260) is N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)o1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is QZIXTFYLJSTUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-10-6-14(21)8-15(24-10)17(23)19-12-7-16(22)20(9-12)13-4-2-11(18)3-5-13/h2-6,8,12H,7,9H2,1H3,(H,19,23).
What are the key properties of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide?
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 346.77 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91785260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).