4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C20H11ClF5N3O3 — CID 167370790

IUPAC4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(Oc3ccc(F)c(Cl)c3)ccc(C(F)(F)F)c2F)ccn1
InChIInChI=1S/C20H11ClF5N3O3/c21-12-8-10(1-3-13(12)22)32-15-4-2-11(20(24,25)26)17(23)16(15)19(31)29-9-5-6-28-14(7-9)18(27)30/h1-8H,(H2,27,30)(H,28,29,31)
InChIKeyXNQFQSDXPNZQKZ-UHFFFAOYSA-N
MW471.77 g/mol
LogP5.18
Rot. Bonds5

About 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 167370790) has the molecular formula C20H11ClF5N3O3 and a molecular weight of 471.77 g/mol. Its IUPAC name is 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID167370790
Molecular FormulaC20H11ClF5N3O3
Molecular Weight471.77 g/mol
Exact Mass471.04
IUPAC Name4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(Oc3ccc(F)c(Cl)c3)ccc(C(F)(F)F)c2F)ccn1
InChIInChI=1S/C20H11ClF5N3O3/c21-12-8-10(1-3-13(12)22)32-15-4-2-11(20(24,25)26)17(23)16(15)19(31)29-9-5-6-28-14(7-9)18(27)30/h1-8H,(H2,27,30)(H,28,29,31)
InChIKeyXNQFQSDXPNZQKZ-UHFFFAOYSA-N
XLogP5.18
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-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

Related Compounds

4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935
4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645104
4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370765
4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370757
4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370737
4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406338
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406529
4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370824
N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide
CID 142516919
4-[[4-chloro-6-(3,4-difluoro-2-methoxyphenoxy)-2-fluoro-3-methylbenzoyl]amino]pyridine-2-carboxamide
CID 154645130
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 137410927

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 167370790) is 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is NC(=O)c1cc(NC(=O)c2c(Oc3ccc(F)c(Cl)c3)ccc(C(F)(F)F)c2F)ccn1.
What is the InChIKey of 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is XNQFQSDXPNZQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF5N3O3/c21-12-8-10(1-3-13(12)22)32-15-4-2-11(20(24,25)26)17(23)16(15)19(31)29-9-5-6-28-14(7-9)18(27)30/h1-8H,(H2,27,30)(H,28,29,31).
What are the key properties of 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 471.77 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167370790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).