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

C21H13ClF5N3O3 — CID 154645143

IUPAC4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCc1c(Oc2ccc(C(F)(F)F)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(F)c1Cl
InChIInChI=1S/C21H13ClF5N3O3/c1-9-14(5-3-12(23)17(9)22)33-15-4-2-11(21(25,26)27)18(24)16(15)20(32)30-10-6-7-29-13(8-10)19(28)31/h2-8H,1H3,(H2,28,31)(H,29,30,32)
InChIKeyBFVIIHSRQDGVIO-UHFFFAOYSA-N
MW485.80 g/mol
LogP5.48
Rot. Bonds5

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

4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645143) has the molecular formula C21H13ClF5N3O3 and a molecular weight of 485.80 g/mol. Its IUPAC name is 4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID154645143
Molecular FormulaC21H13ClF5N3O3
Molecular Weight485.80 g/mol
Exact Mass485.06
IUPAC Name4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCc1c(Oc2ccc(C(F)(F)F)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(F)c1Cl
InChIInChI=1S/C21H13ClF5N3O3/c1-9-14(5-3-12(23)17(9)22)33-15-4-2-11(21(25,26)27)18(24)16(15)20(32)30-10-6-7-29-13(8-10)19(28)31/h2-8H,1H3,(H2,28,31)(H,29,30,32)
InChIKeyBFVIIHSRQDGVIO-UHFFFAOYSA-N
XLogP5.48
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.80
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-3-oxopropyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 11503895
4-[4-(3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-3-oxopropyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 51354603
2-{[(4-Fluorophenyl)methyl]oxy}-N-3-pyridinyl-5-(trifluoromethyl)benzamide
CID 67106997
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-[[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
2-phenylmethoxy-N-pyridin-3-yl-5-(trifluoromethyl)benzamide
CID 155530738
2-[(2-chloro-6-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911746
2-[(3-chloro-2-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 130234374

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645143) is 4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is Cc1c(Oc2ccc(C(F)(F)F)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(F)c1Cl.
What is the InChIKey of 4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is BFVIIHSRQDGVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF5N3O3/c1-9-14(5-3-12(23)17(9)22)33-15-4-2-11(21(25,26)27)18(24)16(15)20(32)30-10-6-7-29-13(8-10)19(28)31/h2-8H,1H3,(H2,28,31)(H,29,30,32).
What are the key properties of 4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[6-(3-chloro-4-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 485.80 g/mol, XLogP of 5.48, 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-fluoro-2-methylphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).