N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H10ClN3O3 — CID 110698237

IUPACN-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H10ClN3O3/c13-8-4-2-1-3-7(8)6-14-11(18)9-5-10(17)16-12(19)15-9/h1-5H,6H2,(H,14,18)(H2,15,16,17,19)
InChIKeyNAVFZFOYUPSUEU-UHFFFAOYSA-N
MW279.68 g/mol
LogP0.65
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 110698237) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID110698237
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H10ClN3O3/c13-8-4-2-1-3-7(8)6-14-11(18)9-5-10(17)16-12(19)15-9/h1-5H,6H2,(H,14,18)(H2,15,16,17,19)
InChIKeyNAVFZFOYUPSUEU-UHFFFAOYSA-N
XLogP0.65
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114332464
N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 61413769
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 110684269
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 54896283
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010
N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide
CID 138031399
N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939142
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 110698237) is N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NCc1ccccc1Cl)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is NAVFZFOYUPSUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-8-4-2-1-3-7(8)6-14-11(18)9-5-10(17)16-12(19)15-9/h1-5H,6H2,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 279.68 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110698237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).