N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C19H16ClN3O4 — CID 4108044

IUPACN-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C19H16ClN3O4/c1-2-27-15-8-6-14(7-9-15)23-18(25)16(11-21-19(23)26)17(24)22-13-5-3-4-12(20)10-13/h3-11H,2H2,1H3,(H,21,26)(H,22,24)
InChIKeyITJAUMZGPITMOM-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.83
Rot. Bonds5

About N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 4108044) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID4108044
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC NameN-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C19H16ClN3O4/c1-2-27-15-8-6-14(7-9-15)23-18(25)16(11-21-19(23)26)17(24)22-13-5-3-4-12(20)10-13/h3-11H,2H2,1H3,(H,21,26)(H,22,24)
InChIKeyITJAUMZGPITMOM-UHFFFAOYSA-N
XLogP2.83
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)-N-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137314
N-(2,6-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137313
N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4107917
N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3404438
5-acetyl-3-(4-ethoxyphenyl)-1H-pyrimidine-2,4-dione
CID 51056920
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3408404
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
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
N-(4-carbamoylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5096654
N-(3-chlorophenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109163439

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 4108044) is N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(Cl)c3)c2=O)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ITJAUMZGPITMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-2-27-15-8-6-14(7-9-15)23-18(25)16(11-21-19(23)26)17(24)22-13-5-3-4-12(20)10-13/h3-11H,2H2,1H3,(H,21,26)(H,22,24).
What are the key properties of N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 385.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4108044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).