N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide

C20H15F3N4O4 — CID 137418848

IUPACN-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide
SMILESCOc1ccc(Oc2ccc(NF)c(F)c2C(=O)Nc2ccc(F)c(C(N)=O)c2)cn1
InChIInChI=1S/C20H15F3N4O4/c1-30-16-7-3-11(9-25-16)31-15-6-5-14(27-23)18(22)17(15)20(29)26-10-2-4-13(21)12(8-10)19(24)28/h2-9,27H,1H3,(H2,24,28)(H,26,29)
InChIKeyXCLIADGRTVOZCW-UHFFFAOYSA-N
MW432.36 g/mol
LogP3.81
Rot. Bonds7

About N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide

N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide (PubChem CID 137418848) has the molecular formula C20H15F3N4O4 and a molecular weight of 432.36 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide
PubChem CID137418848
Molecular FormulaC20H15F3N4O4
Molecular Weight432.36 g/mol
Exact Mass432.10
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide
SMILESCOc1ccc(Oc2ccc(NF)c(F)c2C(=O)Nc2ccc(F)c(C(N)=O)c2)cn1
InChIInChI=1S/C20H15F3N4O4/c1-30-16-7-3-11(9-25-16)31-15-6-5-14(27-23)18(22)17(15)20(29)26-10-2-4-13(21)12(8-10)19(24)28/h2-9,27H,1H3,(H2,24,28)(H,26,29)
InChIKeyXCLIADGRTVOZCW-UHFFFAOYSA-N
XLogP3.81
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 137406357
N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
CID 137406862
N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide
CID 175011717
N-(4-carbamoyl-3-fluorophenyl)-6-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-2-fluoro-3-methylbenzamide
CID 160689602
2-fluoro-5-[(3-methoxybenzoyl)amino]benzamide
CID 39215128
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406615
2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
CID 66666992
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406529
N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen
CID 158292118
2-amino-4,6-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 11630852
2-bromo-N-(3-carbamoyl-4-fluorophenyl)pyridine-4-carboxamide
CID 103754415

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide (CID 137418848) is N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide is COc1ccc(Oc2ccc(NF)c(F)c2C(=O)Nc2ccc(F)c(C(N)=O)c2)cn1.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide?
The InChIKey is XCLIADGRTVOZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O4/c1-30-16-7-3-11(9-25-16)31-15-6-5-14(27-23)18(22)17(15)20(29)26-10-2-4-13(21)12(8-10)19(24)28/h2-9,27H,1H3,(H2,24,28)(H,26,29).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide?
N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide has a molecular weight of 432.36 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-2-fluoro-3-(fluoroamino)-6-[(6-methoxy-3-pyridinyl)oxy]benzamide is sourced from PubChem (CID 137418848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).