3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C58H40Cl2F8N12O9 — CID 87273458

IUPAC3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c(F)c1.NC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2F)c(F)c1.NC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C20H13F5N4O3.C19H13ClF2N4O3.C19H14ClFN4O3/c21-12-5-3-10(20(23,24)25)8-15(12)29-19(31)28-14-6-4-11(9-13(14)22)32-16-2-1-7-27-17(16)18(26)30;20-10-3-5-12(21)15(8-10)26-19(28)25-14-6-4-11(9-13(14)22)29-16-2-1-7-24-17(16)18(23)27;20-11-3-8-14(21)15(10-11)25-19(27)24-12-4-6-13(7-5-12)28-16-2-1-9-23-17(16)18(22)26/h1-9H,(H2,26,30)(H2,28,29,31);1-9H,(H2,23,27)(H2,25,26,28);1-10H,(H2,22,26)(H2,24,25,27)
InChIKeyOSKGZILQZDWUBG-UHFFFAOYSA-N
MW1271.92 g/mol
LogP13.87
Rot. Bonds15

About 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 87273458) has the molecular formula C58H40Cl2F8N12O9 and a molecular weight of 1271.92 g/mol. Its IUPAC name is 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID87273458
Molecular FormulaC58H40Cl2F8N12O9
Molecular Weight1271.92 g/mol
Exact Mass1270.23
IUPAC Name3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c(F)c1.NC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2F)c(F)c1.NC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C20H13F5N4O3.C19H13ClF2N4O3.C19H14ClFN4O3/c21-12-5-3-10(20(23,24)25)8-15(12)29-19(31)28-14-6-4-11(9-13(14)22)32-16-2-1-7-27-17(16)18(26)30;20-10-3-5-12(21)15(8-10)26-19(28)25-14-6-4-11(9-13(14)22)29-16-2-1-7-24-17(16)18(23)27;20-11-3-8-14(21)15(10-11)25-19(27)24-12-4-6-13(7-5-12)28-16-2-1-9-23-17(16)18(22)26/h1-9H,(H2,26,30)(H2,28,29,31);1-9H,(H2,23,27)(H2,25,26,28);1-10H,(H2,22,26)(H2,24,25,27)
InChIKeyOSKGZILQZDWUBG-UHFFFAOYSA-N
XLogP13.87
TPSA319.02 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001271.92
LogP ≤ 513.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Analyze 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 87273458) is 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is NC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c(F)c1.NC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2F)c(F)c1.NC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1.
What is the InChIKey of 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is OSKGZILQZDWUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4O3.C19H13ClF2N4O3.C19H14ClFN4O3/c21-12-5-3-10(20(23,24)25)8-15(12)29-19(31)28-14-6-4-11(9-13(14)22)32-16-2-1-7-27-17(16)18(26)30;20-10-3-5-12(21)15(8-10)26-19(28)25-14-6-4-11(9-13(14)22)29-16-2-1-7-24-17(16)18(23)27;20-11-3-8-14(21)15(10-11)25-19(27)24-12-4-6-13(7-5-12)28-16-2-1-9-23-17(16)18(22)26/h1-9H,(H2,26,30)(H2,28,29,31);1-9H,(H2,23,27)(H2,25,26,28);1-10H,(H2,22,26)(H2,24,25,27).
What are the key properties of 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 1271.92 g/mol, XLogP of 13.87, 15 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide;3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide;3-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 87273458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).