N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C11H8ClN3O4 — CID 64786362

IUPACN-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H8ClN3O4/c12-7-3-5(16)1-2-8(7)14-9(17)6-4-13-11(19)15-10(6)18/h1-4,16H,(H,14,17)(H2,13,15,18,19)
InChIKeyBWLUGBGOINOFRV-UHFFFAOYSA-N
MW281.66 g/mol
LogP0.67
Rot. Bonds2

About N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 64786362) has the molecular formula C11H8ClN3O4 and a molecular weight of 281.66 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID64786362
Molecular FormulaC11H8ClN3O4
Molecular Weight281.66 g/mol
Exact Mass281.02
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H8ClN3O4/c12-7-3-5(16)1-2-8(7)14-9(17)6-4-13-11(19)15-10(6)18/h1-4,16H,(H,14,17)(H2,13,15,18,19)
InChIKeyBWLUGBGOINOFRV-UHFFFAOYSA-N
XLogP0.67
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 28773270
N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110857337
N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43599993
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
2,3-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64787158
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
N-(2-chloro-4-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696175
N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60653296
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 64786362) is N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(O)cc1Cl)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BWLUGBGOINOFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4/c12-7-3-5(16)1-2-8(7)14-9(17)6-4-13-11(19)15-10(6)18/h1-4,16H,(H,14,17)(H2,13,15,18,19).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 281.66 g/mol, XLogP of 0.67, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 64786362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).