2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide

C22H17Cl2F2N3O4 — CID 139571859

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide
SMILESCc1nc(NC(=O)COc2ccc(Cl)c(F)c2)ccc1NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C22H17Cl2F2N3O4/c1-12-19(28-21(30)10-32-13-2-4-15(23)17(25)8-13)6-7-20(27-12)29-22(31)11-33-14-3-5-16(24)18(26)9-14/h2-9H,10-11H2,1H3,(H,28,30)(H,27,29,31)
InChIKeyFMZGGVNAERBLBW-UHFFFAOYSA-N
MW496.30 g/mol
LogP5.01
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide (PubChem CID 139571859) has the molecular formula C22H17Cl2F2N3O4 and a molecular weight of 496.30 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide
PubChem CID139571859
Molecular FormulaC22H17Cl2F2N3O4
Molecular Weight496.30 g/mol
Exact Mass495.06
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide
SMILESCc1nc(NC(=O)COc2ccc(Cl)c(F)c2)ccc1NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C22H17Cl2F2N3O4/c1-12-19(28-21(30)10-32-13-2-4-15(23)17(25)8-13)6-7-20(27-12)29-22(31)11-33-14-3-5-16(24)18(26)9-14/h2-9H,10-11H2,1H3,(H,28,30)(H,27,29,31)
InChIKeyFMZGGVNAERBLBW-UHFFFAOYSA-N
XLogP5.01
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.30
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 82717766
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999929
N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63880194
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]-1-methylcyclobut-2-en-1-yl]acetamide
CID 138632288
2-(4-chloro-3-fluorophenoxy)-N-ethenylacetamide
CID 155716981
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-[(2-fluoro-6-methyl-3-pyridinyl)oxy]acetyl]amino]-1-methylcyclobut-2-en-1-yl]acetamide
CID 138632385
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 38228993
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
CID 155264535
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide (CID 139571859) is 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide is Cc1nc(NC(=O)COc2ccc(Cl)c(F)c2)ccc1NC(=O)COc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide?
The InChIKey is FMZGGVNAERBLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F2N3O4/c1-12-19(28-21(30)10-32-13-2-4-15(23)17(25)8-13)6-7-20(27-12)29-22(31)11-33-14-3-5-16(24)18(26)9-14/h2-9H,10-11H2,1H3,(H,28,30)(H,27,29,31).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide has a molecular weight of 496.30 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide is sourced from PubChem (CID 139571859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).