1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide

C22H19ClN4O2 — CID 102557635

IUPAC1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(-c2ccc(NC(=O)C3CCN(c4ccc(Cl)cc4)C3=O)cc2)n1
InChIInChI=1S/C22H19ClN4O2/c1-14-10-12-24-20(25-14)15-2-6-17(7-3-15)26-21(28)19-11-13-27(22(19)29)18-8-4-16(23)5-9-18/h2-10,12,19H,11,13H2,1H3,(H,26,28)
InChIKeyKNATZNAHOZLKEI-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.10
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 102557635) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID102557635
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(-c2ccc(NC(=O)C3CCN(c4ccc(Cl)cc4)C3=O)cc2)n1
InChIInChI=1S/C22H19ClN4O2/c1-14-10-12-24-20(25-14)15-2-6-17(7-3-15)26-21(28)19-11-13-27(22(19)29)18-8-4-16(23)5-9-18/h2-10,12,19H,11,13H2,1H3,(H,26,28)
InChIKeyKNATZNAHOZLKEI-UHFFFAOYSA-N
XLogP4.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 60566893
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
(3S)-1-(4-chlorophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 94079940
1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 42863497
N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119327335
(3S)-1-(3-chloro-4-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330510
N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46048508
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 24983543
1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 86888104
1-(4-chlorophenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 56555835
(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide
CID 94211690

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide (CID 102557635) is 1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide is Cc1ccnc(-c2ccc(NC(=O)C3CCN(c4ccc(Cl)cc4)C3=O)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is KNATZNAHOZLKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-14-10-12-24-20(25-14)15-2-6-17(7-3-15)26-21(28)19-11-13-27(22(19)29)18-8-4-16(23)5-9-18/h2-10,12,19H,11,13H2,1H3,(H,26,28).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 102557635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).