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

C19H15ClFN3O3 — CID 71778424

IUPACN-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C19H15ClFN3O3/c20-15-7-3-1-5-12(15)9-22-17(25)14-10-23-19(27)24(18(14)26)11-13-6-2-4-8-16(13)21/h1-8,10H,9,11H2,(H,22,25)(H,23,27)
InChIKeyLYMZNZMICQVGBM-UHFFFAOYSA-N
MW387.80 g/mol
LogP2.31
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 71778424) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID71778424
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C19H15ClFN3O3/c20-15-7-3-1-5-12(15)9-22-17(25)14-10-23-19(27)24(18(14)26)11-13-6-2-4-8-16(13)21/h1-8,10H,9,11H2,(H,22,25)(H,23,27)
InChIKeyLYMZNZMICQVGBM-UHFFFAOYSA-N
XLogP2.31
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 71778424) is N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NCc1ccccc1Cl)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LYMZNZMICQVGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c20-15-7-3-1-5-12(15)9-22-17(25)14-10-23-19(27)24(18(14)26)11-13-6-2-4-8-16(13)21/h1-8,10H,9,11H2,(H,22,25)(H,23,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 387.80 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 71778424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).