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

C11H7Cl2N3O3 — CID 110864096

IUPACN-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H7Cl2N3O3/c12-5-1-2-8(7(13)3-5)15-9(17)6-4-14-11(19)16-10(6)18/h1-4H,(H,15,17)(H2,14,16,18,19)
InChIKeyBXMCCQNBOLTNTC-UHFFFAOYSA-N
MW300.10 g/mol
LogP1.62
Rot. Bonds2

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

N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 110864096) has the molecular formula C11H7Cl2N3O3 and a molecular weight of 300.10 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID110864096
Molecular FormulaC11H7Cl2N3O3
Molecular Weight300.10 g/mol
Exact Mass298.99
IUPAC NameN-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H7Cl2N3O3/c12-5-1-2-8(7(13)3-5)15-9(17)6-4-14-11(19)16-10(6)18/h1-4H,(H,15,17)(H2,14,16,18,19)
InChIKeyBXMCCQNBOLTNTC-UHFFFAOYSA-N
XLogP1.62
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64786362
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
N-(2,4-dichlorophenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495696
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
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
N-(2-bromo-4-chlorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 81271762
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
CID 43442864
4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 36679405
N-(2,4-dichlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134914068

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 110864096) is N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BXMCCQNBOLTNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O3/c12-5-1-2-8(7(13)3-5)15-9(17)6-4-14-11(19)16-10(6)18/h1-4H,(H,15,17)(H2,14,16,18,19).
What are the key properties of N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 300.10 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110864096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).