1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one

C15H12ClN3O2 — CID 138538803

IUPAC1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)c1ccnc(Cl)n1
InChIInChI=1S/C15H12ClN3O2/c16-15-17-8-7-12(18-15)14(21)10-3-5-11(6-4-10)19-9-1-2-13(19)20/h3-8H,1-2,9H2
InChIKeyAYELIQHAJWPKCC-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.49
Rot. Bonds3

About 1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one

1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 138538803) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID138538803
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)c1ccnc(Cl)n1
InChIInChI=1S/C15H12ClN3O2/c16-15-17-8-7-12(18-15)14(21)10-3-5-11(6-4-10)19-9-1-2-13(19)20/h3-8H,1-2,9H2
InChIKeyAYELIQHAJWPKCC-UHFFFAOYSA-N
XLogP2.49
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
(2-chloropyrimidin-4-yl)-(4-isocyanophenyl)methanone
CID 155631250
N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 18108449
1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 5160516
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-(5-iodothiophene-3-carbonyl)phenyl]pyrrolidin-2-one
CID 79685754
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-(2-chloro-4-methoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one
CID 142612616
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one (CID 138538803) is 1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one is O=C(c1ccc(N2CCCC2=O)cc1)c1ccnc(Cl)n1.
What is the InChIKey of 1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is AYELIQHAJWPKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-15-17-8-7-12(18-15)14(21)10-3-5-11(6-4-10)19-9-1-2-13(19)20/h3-8H,1-2,9H2.
What are the key properties of 1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 301.73 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloropyrimidine-4-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 138538803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).