4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide

C20H14Cl2F2N2O3 — CID 123825583

IUPAC4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc(F)c(F)cc1CNC(=O)c1cnccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H14Cl2F2N2O3/c1-28-18-8-16(24)15(23)6-11(18)9-26-20(27)13-10-25-5-4-17(13)29-19-7-12(21)2-3-14(19)22/h2-8,10H,9H2,1H3,(H,26,27)
InChIKeyKQKKGPUEEIVALS-UHFFFAOYSA-N
MW439.25 g/mol
LogP5.40
Rot. Bonds6

About 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide

4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 123825583) has the molecular formula C20H14Cl2F2N2O3 and a molecular weight of 439.25 g/mol. Its IUPAC name is 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID123825583
Molecular FormulaC20H14Cl2F2N2O3
Molecular Weight439.25 g/mol
Exact Mass438.03
IUPAC Name4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc(F)c(F)cc1CNC(=O)c1cnccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H14Cl2F2N2O3/c1-28-18-8-16(24)15(23)6-11(18)9-26-20(27)13-10-25-5-4-17(13)29-19-7-12(21)2-3-14(19)22/h2-8,10H,9H2,1H3,(H,26,27)
InChIKeyKQKKGPUEEIVALS-UHFFFAOYSA-N
XLogP5.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.25
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91350937
N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide
CID 53312033
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
N-[[4-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254211
2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide
CID 90878947
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786211
2-(2,5-dichlorophenoxy)-N-(4-methoxy-3-pyridinyl)-N-methylpyridine-3-carboxamide
CID 46194847

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 123825583) is 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1cc(F)c(F)cc1CNC(=O)c1cnccc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is KQKKGPUEEIVALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F2N2O3/c1-28-18-8-16(24)15(23)6-11(18)9-26-20(27)13-10-25-5-4-17(13)29-19-7-12(21)2-3-14(19)22/h2-8,10H,9H2,1H3,(H,26,27).
What are the key properties of 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide?
4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 439.25 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 123825583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).