N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide

C16H12ClN3O3 — CID 110331871

IUPACN-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(-c2ccco2)[nH]c(=O)n1
InChIInChI=1S/C16H12ClN3O3/c17-11-5-2-1-4-10(11)9-18-15(21)13-8-12(19-16(22)20-13)14-6-3-7-23-14/h1-8H,9H2,(H,18,21)(H,19,20,22)
InChIKeyVZVGMZRPGAKDSN-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.61
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 110331871) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID110331871
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(-c2ccco2)[nH]c(=O)n1
InChIInChI=1S/C16H12ClN3O3/c17-11-5-2-1-4-10(11)9-18-15(21)13-8-12(19-16(22)20-13)14-6-3-7-23-14/h1-8H,9H2,(H,18,21)(H,19,20,22)
InChIKeyVZVGMZRPGAKDSN-UHFFFAOYSA-N
XLogP2.61
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide
CID 110331841
6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide
CID 110331915
N-(3-fluorophenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331954
N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331928
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331957
5-(furan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 39854407
N-[(2-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 35994168
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
N-[(2-chlorophenyl)methyl]-7-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42217324
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 110331871) is N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide is O=C(NCc1ccccc1Cl)c1cc(-c2ccco2)[nH]c(=O)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is VZVGMZRPGAKDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-11-5-2-1-4-10(11)9-18-15(21)13-8-12(19-16(22)20-13)14-6-3-7-23-14/h1-8H,9H2,(H,18,21)(H,19,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 329.74 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110331871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).