3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide

C20H15ClFN3O3 — CID 177328864

IUPAC3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide
SMILESCc1ccn(C(NC(=O)c2cccc(Cl)c2)C(=O)c2ccc(F)cc2)c(=O)n1
InChIInChI=1S/C20H15ClFN3O3/c1-12-9-10-25(20(28)23-12)18(17(26)13-5-7-16(22)8-6-13)24-19(27)14-3-2-4-15(21)11-14/h2-11,18H,1H3,(H,24,27)
InChIKeyVPLRCPDPUXQPQZ-UHFFFAOYSA-N
MW399.81 g/mol
LogP3.16
Rot. Bonds5

About 3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide

3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 177328864) has the molecular formula C20H15ClFN3O3 and a molecular weight of 399.81 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide
PubChem CID177328864
Molecular FormulaC20H15ClFN3O3
Molecular Weight399.81 g/mol
Exact Mass399.08
IUPAC Name3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide
SMILESCc1ccn(C(NC(=O)c2cccc(Cl)c2)C(=O)c2ccc(F)cc2)c(=O)n1
InChIInChI=1S/C20H15ClFN3O3/c1-12-9-10-25(20(28)23-12)18(17(26)13-5-7-16(22)8-6-13)24-19(27)14-3-2-4-15(21)11-14/h2-11,18H,1H3,(H,24,27)
InChIKeyVPLRCPDPUXQPQZ-UHFFFAOYSA-N
XLogP3.16
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide (CID 177328864) is 3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide is Cc1ccn(C(NC(=O)c2cccc(Cl)c2)C(=O)c2ccc(F)cc2)c(=O)n1.
What is the InChIKey of 3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is VPLRCPDPUXQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3/c1-12-9-10-25(20(28)23-12)18(17(26)13-5-7-16(22)8-6-13)24-19(27)14-3-2-4-15(21)11-14/h2-11,18H,1H3,(H,24,27).
What are the key properties of 3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide?
3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 399.81 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-fluorophenyl)-1-(4-methyl-2-oxopyrimidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 177328864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).