N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C18H13Cl2N3O4 — CID 7080837

IUPACN-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2=O)c1
InChIInChI=1S/C18H13Cl2N3O4/c1-27-14-4-2-3-13(8-14)23-17(25)15(9-21-18(23)26)16(24)22-12-6-10(19)5-11(20)7-12/h2-9H,1H3,(H,21,26)(H,22,24)
InChIKeyDLIYUHCQHSMQTJ-UHFFFAOYSA-N
MW406.23 g/mol
LogP3.09
Rot. Bonds4

About N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 7080837) has the molecular formula C18H13Cl2N3O4 and a molecular weight of 406.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID7080837
Molecular FormulaC18H13Cl2N3O4
Molecular Weight406.23 g/mol
Exact Mass405.03
IUPAC NameN-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2=O)c1
InChIInChI=1S/C18H13Cl2N3O4/c1-27-14-4-2-3-13(8-14)23-17(25)15(9-21-18(23)26)16(24)22-12-6-10(19)5-11(20)7-12/h2-9H,1H3,(H,21,26)(H,22,24)
InChIKeyDLIYUHCQHSMQTJ-UHFFFAOYSA-N
XLogP3.09
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4113283
3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5142971
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4108044
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 16815268
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137362
N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206126

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 7080837) is N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2=O)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DLIYUHCQHSMQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O4/c1-27-14-4-2-3-13(8-14)23-17(25)15(9-21-18(23)26)16(24)22-12-6-10(19)5-11(20)7-12/h2-9H,1H3,(H,21,26)(H,22,24).
What are the key properties of N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 406.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 7080837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).