N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C18H19ClN4O3 — CID 136665328

IUPACN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C18H19ClN4O3/c1-10-15(18(26)21-11(2)20-10)8-16(24)22-13-7-17(25)23(9-13)14-5-3-12(19)4-6-14/h3-6,13H,7-9H2,1-2H3,(H,22,24)(H,20,21,26)
InChIKeyRLWXJSJLDUJBFZ-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.50
Rot. Bonds4

About N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 136665328) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID136665328
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC NameN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C18H19ClN4O3/c1-10-15(18(26)21-11(2)20-10)8-16(24)22-13-7-17(25)23(9-13)14-5-3-12(19)4-6-14/h3-6,13H,7-9H2,1-2H3,(H,22,24)(H,20,21,26)
InChIKeyRLWXJSJLDUJBFZ-UHFFFAOYSA-N
XLogP1.50
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 136665328) is N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)c(=O)[nH]1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is RLWXJSJLDUJBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-10-15(18(26)21-11(2)20-10)8-16(24)22-13-7-17(25)23(9-13)14-5-3-12(19)4-6-14/h3-6,13H,7-9H2,1-2H3,(H,22,24)(H,20,21,26).
What are the key properties of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 374.83 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 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]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 136665328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).