4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide

C20H15ClF4N4O4 — CID 66685479

IUPAC4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide
SMILESNC(=O)C1C=C(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)C=CN1O
InChIInChI=1S/C20H15ClF4N4O4/c21-14-3-1-10(7-13(14)20(23,24)25)27-19(31)28-16-4-2-11(8-15(16)22)33-12-5-6-29(32)17(9-12)18(26)30/h1-9,17,32H,(H2,26,30)(H2,27,28,31)
InChIKeyURTMDIIURKTKEG-UHFFFAOYSA-N
MW486.81 g/mol
LogP4.48
Rot. Bonds5

About 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide (PubChem CID 66685479) has the molecular formula C20H15ClF4N4O4 and a molecular weight of 486.81 g/mol. Its IUPAC name is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide
PubChem CID66685479
Molecular FormulaC20H15ClF4N4O4
Molecular Weight486.81 g/mol
Exact Mass486.07
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide
SMILESNC(=O)C1C=C(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)C=CN1O
InChIInChI=1S/C20H15ClF4N4O4/c21-14-3-1-10(7-13(14)20(23,24)25)27-19(31)28-16-4-2-11(8-15(16)22)33-12-5-6-29(32)17(9-12)18(26)30/h1-9,17,32H,(H2,26,30)(H2,27,28,31)
InChIKeyURTMDIIURKTKEG-UHFFFAOYSA-N
XLogP4.48
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.81
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide?
The IUPAC name of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide (CID 66685479) is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide is NC(=O)C1C=C(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)C=CN1O.
What is the InChIKey of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide?
The InChIKey is URTMDIIURKTKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF4N4O4/c21-14-3-1-10(7-13(14)20(23,24)25)27-19(31)28-16-4-2-11(8-15(16)22)33-12-5-6-29(32)17(9-12)18(26)30/h1-9,17,32H,(H2,26,30)(H2,27,28,31).
What are the key properties of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide?
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide has a molecular weight of 486.81 g/mol, XLogP of 4.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-hydroxy-2H-pyridine-2-carboxamide is sourced from PubChem (CID 66685479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).