N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

C18H15FN4O5 — CID 78450781

IUPACN-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCc1ccc(N2C(=O)NCC(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2=O)cc1
InChIInChI=1S/C18H15FN4O5/c1-10-2-5-12(6-3-10)22-17(25)13(9-20-18(22)26)16(24)21-11-4-7-14(19)15(8-11)23(27)28/h2-8,13H,9H2,1H3,(H,20,26)(H,21,24)
InChIKeyYIUXMQCFHLWWRF-UHFFFAOYSA-N
MW386.34 g/mol
LogP2.35
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 78450781) has the molecular formula C18H15FN4O5 and a molecular weight of 386.34 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
PubChem CID78450781
Molecular FormulaC18H15FN4O5
Molecular Weight386.34 g/mol
Exact Mass386.10
IUPAC NameN-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESCc1ccc(N2C(=O)NCC(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2=O)cc1
InChIInChI=1S/C18H15FN4O5/c1-10-2-5-12(6-3-10)22-17(25)13(9-20-18(22)26)16(24)21-11-4-7-14(19)15(8-11)23(27)28/h2-8,13H,9H2,1H3,(H,20,26)(H,21,24)
InChIKeyYIUXMQCFHLWWRF-UHFFFAOYSA-N
XLogP2.35
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)-N-(4-nitrophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450804
1-(3-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450797
1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 73329476
1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450947
N-(4-fluoro-3-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43708447
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450908
N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78444214
1-(3-chloro-4-fluorophenyl)-2,6-dioxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 78450917
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 40715000
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N-(4-fluoro-3-nitrophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125696

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide (CID 78450781) is N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is Cc1ccc(N2C(=O)NCC(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2=O)cc1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
The InChIKey is YIUXMQCFHLWWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O5/c1-10-2-5-12(6-3-10)22-17(25)13(9-20-18(22)26)16(24)21-11-4-7-14(19)15(8-11)23(27)28/h2-8,13H,9H2,1H3,(H,20,26)(H,21,24).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide?
N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 386.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-1-(4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 78450781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).