4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide

C21H14ClF4N3O4 — CID 154644943

IUPAC4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
SMILESCc1cc(OC(F)(F)F)ccc1Oc1ccc(Cl)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C21H14ClF4N3O4/c1-10-8-12(33-21(24,25)26)2-4-15(10)32-16-5-3-13(22)18(23)17(16)20(31)29-11-6-7-28-14(9-11)19(27)30/h2-9H,1H3,(H2,27,30)(H,28,29,31)
InChIKeyBNAXGCALDGQLKB-UHFFFAOYSA-N
MW483.81 g/mol
LogP5.22
Rot. Bonds6

About 4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide

4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154644943) has the molecular formula C21H14ClF4N3O4 and a molecular weight of 483.81 g/mol. Its IUPAC name is 4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
PubChem CID154644943
Molecular FormulaC21H14ClF4N3O4
Molecular Weight483.81 g/mol
Exact Mass483.06
IUPAC Name4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
SMILESCc1cc(OC(F)(F)F)ccc1Oc1ccc(Cl)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C21H14ClF4N3O4/c1-10-8-12(33-21(24,25)26)2-4-15(10)32-16-5-3-13(22)18(23)17(16)20(31)29-11-6-7-28-14(9-11)19(27)30/h2-9H,1H3,(H2,27,30)(H,28,29,31)
InChIKeyBNAXGCALDGQLKB-UHFFFAOYSA-N
XLogP5.22
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.81
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-[3-(3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-3-oxopropyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 11503895
2-[(2-chloro-5-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911660
2-[(5-chloro-2-heptoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911688
2-[(5-chloro-2-hexoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911703
2-[(5-chloro-2-methoxyphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911738
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-[[3-Chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxybenzoyl]amino]pyridine-2-carboxamide
CID 154645091
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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide (CID 154644943) is 4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide is Cc1cc(OC(F)(F)F)ccc1Oc1ccc(Cl)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is BNAXGCALDGQLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF4N3O4/c1-10-8-12(33-21(24,25)26)2-4-15(10)32-16-5-3-13(22)18(23)17(16)20(31)29-11-6-7-28-14(9-11)19(27)30/h2-9H,1H3,(H2,27,30)(H,28,29,31).
What are the key properties of 4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 483.81 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-2-fluoro-6-[2-methyl-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154644943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).