3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C19H14ClF2N3O3 — CID 121027301

About 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121027301) has the molecular formula C19H14ClF2N3O3 and a molecular weight of 405.79 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
• PubChem CID: 121027301
• Molecular Formula: C19H14ClF2N3O3
• Molecular Weight: 405.79 g/mol
• Exact Mass: 405.07
• IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1F)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O
• InChI: InChI=1S/C19H14ClF2N3O3/c20-15-4-2-1-3-12(15)10-25-18(27)14(9-24-19(25)28)17(26)23-8-11-5-6-13(21)7-16(11)22/h1-7,9H,8,10H2,(H,23,26)(H,24,28)
• InChIKey: LZUJUDXIDHMJAJ-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 83.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.79
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The IUPAC name of 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121027301) is 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The canonical SMILES for 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NCc1ccc(F)cc1F)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O.

What is the InChIKey of 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

The InChIKey is LZUJUDXIDHMJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O3/c20-15-4-2-1-3-12(15)10-25-18(27)14(9-24-19(25)28)17(26)23-8-11-5-6-13(21)7-16(11)22/h1-7,9H,8,10H2,(H,23,26)(H,24,28).

What are the key properties of 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?

3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 405.79 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121027301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).