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

C20H12ClF4N3O3 — CID 154645224

IUPAC4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C20H12ClF4N3O3/c21-14-9-12(2-4-15(14)22)31-17-7-10(20(23,24)25)1-3-13(17)19(30)28-11-5-6-27-16(8-11)18(26)29/h1-9H,(H2,26,29)(H,27,28,30)
InChIKeyPJLCZGFOODTIPN-UHFFFAOYSA-N
MW453.78 g/mol
LogP5.04
Rot. Bonds5

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

4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645224) has the molecular formula C20H12ClF4N3O3 and a molecular weight of 453.78 g/mol. Its IUPAC name is 4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID154645224
Molecular FormulaC20H12ClF4N3O3
Molecular Weight453.78 g/mol
Exact Mass453.05
IUPAC Name4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C20H12ClF4N3O3/c21-14-9-12(2-4-15(14)22)31-17-7-10(20(23,24)25)1-3-13(17)19(30)28-11-5-6-27-16(8-11)18(26)29/h1-9H,(H2,26,29)(H,27,28,30)
InChIKeyPJLCZGFOODTIPN-UHFFFAOYSA-N
XLogP5.04
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.78
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenoxy)methyl]-N-(pyridin-4-yl)benzamide
CID 890653
2-(benzyloxy)-5-chloro-N-pyridin-3-ylbenzamide
CID 6463365
4-[3-(3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-3-oxopropyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 11503895
2-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911651
2-[(2-chloro-5-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911660
4-[[3-Chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154644925
4-[[4-Chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxybenzoyl]amino]pyridine-2-carboxamide
CID 154645064
4-[[2-Fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645315
4-[[2-Chloro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645379
4-[[4-Chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide
CID 154645472
2-[(2-chlorophenyl)methoxy]-N-(pyridin-2-ylmethyl)benzamide
CID 2532650
(3-Chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11545634

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645224) is 4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is NC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)c(Cl)c2)ccn1.
What is the InChIKey of 4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is PJLCZGFOODTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N3O3/c21-14-9-12(2-4-15(14)22)31-17-7-10(20(23,24)25)1-3-13(17)19(30)28-11-5-6-27-16(8-11)18(26)29/h1-9H,(H2,26,29)(H,27,28,30).
What are the key properties of 4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 453.78 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloro-4-fluorophenoxy)-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).