4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide

C11H8ClN3O3 — CID 4228393

IUPAC4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClN3O3/c12-7-3-1-6(2-4-7)10(17)13-8-5-9(16)15-11(18)14-8/h1-5H,(H3,13,14,15,16,17,18)
InChIKeySAPAPJYHDSJHSO-UHFFFAOYSA-N
MW265.66 g/mol
LogP0.97
Rot. Bonds2

About 4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide

4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide (PubChem CID 4228393) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
PubChem CID4228393
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClN3O3/c12-7-3-1-6(2-4-7)10(17)13-8-5-9(16)15-11(18)14-8/h1-5H,(H3,13,14,15,16,17,18)
InChIKeySAPAPJYHDSJHSO-UHFFFAOYSA-N
XLogP0.97
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 3436100
N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide
CID 3367770
5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
CID 4173907
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide
CID 3526595
5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 2148524
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3-nitrobenzamide
CID 2148521
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
CID 5080941
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanamide
CID 4152349
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea
CID 27102156
4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 47176378
methyl 4-chloro-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 110698334

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide (CID 4228393) is 4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide is O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The InChIKey is SAPAPJYHDSJHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-7-3-1-6(2-4-7)10(17)13-8-5-9(16)15-11(18)14-8/h1-5H,(H3,13,14,15,16,17,18).
What are the key properties of 4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide has a molecular weight of 265.66 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide is sourced from PubChem (CID 4228393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).