N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide

C21H12F6N2O4 — CID 137406357

IUPACN-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide
SMILESNC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)cc3)ccc(F)c2F)ccc1F
InChIInChI=1S/C21H12F6N2O4/c22-14-6-1-10(9-13(14)19(28)30)29-20(31)17-16(8-7-15(23)18(17)24)32-11-2-4-12(5-3-11)33-21(25,26)27/h1-9H,(H2,28,30)(H,29,31)
InChIKeyHYCDGZMLOICWOK-UHFFFAOYSA-N
MW470.33 g/mol
LogP5.15
Rot. Bonds6

About N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide

N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide (PubChem CID 137406357) has the molecular formula C21H12F6N2O4 and a molecular weight of 470.33 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide
PubChem CID137406357
Molecular FormulaC21H12F6N2O4
Molecular Weight470.33 g/mol
Exact Mass470.07
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide
SMILESNC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)cc3)ccc(F)c2F)ccc1F
InChIInChI=1S/C21H12F6N2O4/c22-14-6-1-10(9-13(14)19(28)30)29-20(31)17-16(8-7-15(23)18(17)24)32-11-2-4-12(5-3-11)33-21(25,26)27/h1-9H,(H2,28,30)(H,29,31)
InChIKeyHYCDGZMLOICWOK-UHFFFAOYSA-N
XLogP5.15
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.33
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406529
N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide
CID 175011717
N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410942
6-bromo-N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-methylbenzamide;bis(N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-methyl-6-[[6-(trifluoromethoxy)-3-pyridinyl]oxy]benzamide);6-(trifluoromethoxy)pyridin-3-ol
CID 160682986
N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
CID 137406862
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406615
N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide
CID 137418848
N-(3-carbamoylphenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410906
N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide
CID 142516919
N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen
CID 158292118
2-fluoro-N-(1-hydroxypyridin-1-ium-4-yl)-4-(trifluoromethoxy)-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 170242253
4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide (CID 137406357) is N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide is NC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)cc3)ccc(F)c2F)ccc1F.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide?
The InChIKey is HYCDGZMLOICWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6N2O4/c22-14-6-1-10(9-13(14)19(28)30)29-20(31)17-16(8-7-15(23)18(17)24)32-11-2-4-12(5-3-11)33-21(25,26)27/h1-9H,(H2,28,30)(H,29,31).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide?
N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide has a molecular weight of 470.33 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide is sourced from PubChem (CID 137406357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).