4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide

C22H18ClF3N4O4 — CID 71542472

IUPAC4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1OC
InChIInChI=1S/C22H18ClF3N4O4/c1-27-20(31)18-19(33-2)17(9-10-28-18)34-14-6-3-12(4-7-14)29-21(32)30-13-5-8-16(23)15(11-13)22(24,25)26/h3-11H,1-2H3,(H,27,31)(H2,29,30,32)
InChIKeyXNAORWFHVAVJGN-UHFFFAOYSA-N
MW494.86 g/mol
LogP5.56
Rot. Bonds6

About 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 71542472) has the molecular formula C22H18ClF3N4O4 and a molecular weight of 494.86 g/mol. Its IUPAC name is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide
PubChem CID71542472
Molecular FormulaC22H18ClF3N4O4
Molecular Weight494.86 g/mol
Exact Mass494.10
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1OC
InChIInChI=1S/C22H18ClF3N4O4/c1-27-20(31)18-19(33-2)17(9-10-28-18)34-14-6-3-12(4-7-14)29-21(32)30-13-5-8-16(23)15(11-13)22(24,25)26/h3-11H,1-2H3,(H,27,31)(H2,29,30,32)
InChIKeyXNAORWFHVAVJGN-UHFFFAOYSA-N
XLogP5.56
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.86
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide (CID 71542472) is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide is CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1OC.
What is the InChIKey of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is XNAORWFHVAVJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O4/c1-27-20(31)18-19(33-2)17(9-10-28-18)34-14-6-3-12(4-7-14)29-21(32)30-13-5-8-16(23)15(11-13)22(24,25)26/h3-11H,1-2H3,(H,27,31)(H2,29,30,32).
What are the key properties of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide?
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 494.86 g/mol, XLogP of 5.56, 6 rotatable bonds, 3 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]phenoxy]-3-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71542472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).