N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

C19H17F2N3O4 — CID 78348162

IUPACN-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCCOc1ccc(N2C(=O)NCC(C(=O)Nc3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C19H17F2N3O4/c1-2-28-13-6-4-12(5-7-13)24-18(26)14(10-22-19(24)27)17(25)23-16-8-3-11(20)9-15(16)21/h3-9,14H,2,10H2,1H3,(H,22,27)(H,23,25)
InChIKeyNDWUXDALUJMVON-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.67
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 78348162) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
PubChem CID78348162
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC NameN-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCCOc1ccc(N2C(=O)NCC(C(=O)Nc3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C19H17F2N3O4/c1-2-28-13-6-4-12(5-7-13)24-18(26)14(10-22-19(24)27)17(25)23-16-8-3-11(20)9-15(16)21/h3-9,14H,2,10H2,1H3,(H,22,27)(H,23,25)
InChIKeyNDWUXDALUJMVON-UHFFFAOYSA-N
XLogP2.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78342444
N-(2,6-dimethylphenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450790
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450908
N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450787
(3R,4S)-N-(2,4-difluorophenyl)-4-(3-ethoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411875
N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78444214
1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564323
1-(4-fluorophenyl)-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 78444206
1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 73329476
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 2356763

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (CID 78348162) is N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is CCOc1ccc(N2C(=O)NCC(C(=O)Nc3ccc(F)cc3F)C2=O)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The InChIKey is NDWUXDALUJMVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-2-28-13-6-4-12(5-7-13)24-18(26)14(10-22-19(24)27)17(25)23-16-8-3-11(20)9-15(16)21/h3-9,14H,2,10H2,1H3,(H,22,27)(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 78348162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).