N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C19H14F4N2O4 — CID 112831204

IUPACN-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C1=COCCO1
InChIInChI=1S/C19H14F4N2O4/c20-12-3-1-11(2-4-12)17(26)24-13-5-6-15(14(9-13)19(21,22)23)25-18(27)16-10-28-7-8-29-16/h1-6,9-10H,7-8H2,(H,24,26)(H,25,27)
InChIKeySUAIEWUAKHZPEC-UHFFFAOYSA-N
MW410.32 g/mol
LogP3.92
Rot. Bonds4

About N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 112831204) has the molecular formula C19H14F4N2O4 and a molecular weight of 410.32 g/mol. Its IUPAC name is N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID112831204
Molecular FormulaC19H14F4N2O4
Molecular Weight410.32 g/mol
Exact Mass410.09
IUPAC NameN-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C1=COCCO1
InChIInChI=1S/C19H14F4N2O4/c20-12-3-1-11(2-4-12)17(26)24-13-5-6-15(14(9-13)19(21,22)23)25-18(27)16-10-28-7-8-29-16/h1-6,9-10H,7-8H2,(H,24,26)(H,25,27)
InChIKeySUAIEWUAKHZPEC-UHFFFAOYSA-N
XLogP3.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

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Related Compounds

5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55699393
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carboxamide
CID 55820000
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170505
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 52598903
N-(3-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 26086552
3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55699331
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 55764258
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 55764324
N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103789893
4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 78885374

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 112831204) is N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F)C1=COCCO1.
What is the InChIKey of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is SUAIEWUAKHZPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O4/c20-12-3-1-11(2-4-12)17(26)24-13-5-6-15(14(9-13)19(21,22)23)25-18(27)16-10-28-7-8-29-16/h1-6,9-10H,7-8H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 410.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 112831204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).