5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C20H11ClF5N3O3 — CID 167370777

IUPAC5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2c(Oc3ccc(Cl)cc3F)ccc(C(F)(F)F)c2F)cn1
InChIInChI=1S/C20H11ClF5N3O3/c21-9-1-5-14(12(22)7-9)32-15-6-3-11(20(24,25)26)17(23)16(15)19(31)29-10-2-4-13(18(27)30)28-8-10/h1-8H,(H2,27,30)(H,29,31)
InChIKeyVCRKOEQKUATASS-UHFFFAOYSA-N
MW471.77 g/mol
LogP5.18
Rot. Bonds5

About 5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 167370777) has the molecular formula C20H11ClF5N3O3 and a molecular weight of 471.77 g/mol. Its IUPAC name is 5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID167370777
Molecular FormulaC20H11ClF5N3O3
Molecular Weight471.77 g/mol
Exact Mass471.04
IUPAC Name5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2c(Oc3ccc(Cl)cc3F)ccc(C(F)(F)F)c2F)cn1
InChIInChI=1S/C20H11ClF5N3O3/c21-9-1-5-14(12(22)7-9)32-15-6-3-11(20(24,25)26)17(23)16(15)19(31)29-10-2-4-13(18(27)30)28-8-10/h1-8H,(H2,27,30)(H,29,31)
InChIKeyVCRKOEQKUATASS-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 5-[[6-(4-chloro-2-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

2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
5-chloro-N-(2-chloropyridin-3-yl)-2-methoxybenzamide
CID 3154652
2-phenoxy-N-pyridin-3-ylbenzamide
CID 876892
2-(benzyloxy)-5-chloro-N-pyridin-3-ylbenzamide
CID 6463365
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-methoxy-3-pyridyl)acetamide
CID 9802880
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-chloro-3-pyridyl)acetamide
CID 11546611
4-[4-(3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-3-oxopropyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 51354603
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58921211
2-{[(4-Fluorophenyl)methyl]oxy}-N-3-pyridinyl-5-(trifluoromethyl)benzamide
CID 67106997
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177
5-Fluoro-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 68107702
N-[3-(4-amino-2-methyl-1,3-benzoxazin-2-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 73353578

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 167370777) is 5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is NC(=O)c1ccc(NC(=O)c2c(Oc3ccc(Cl)cc3F)ccc(C(F)(F)F)c2F)cn1.
What is the InChIKey of 5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is VCRKOEQKUATASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF5N3O3/c21-9-1-5-14(12(22)7-9)32-15-6-3-11(20(24,25)26)17(23)16(15)19(31)29-10-2-4-13(18(27)30)28-8-10/h1-8H,(H2,27,30)(H,29,31).
What are the key properties of 5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
5-[[6-(4-chloro-2-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 5-[[6-(4-chloro-2-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167370777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).