1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone

C18H19Cl2FN2O3 — CID 148662657

IUPAC1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone
SMILESCOc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)COCC(C)C)n2)c1F
InChIInChI=1S/C18H19Cl2FN2O3/c1-9(2)7-26-8-14(24)17-15(20)12(22)6-13(23-17)10-4-5-11(19)18(25-3)16(10)21/h4-6,9H,7-8H2,1-3H3,(H2,22,23)
InChIKeyNOCJHARETXACEV-UHFFFAOYSA-N
MW401.27 g/mol
LogP4.64
Rot. Bonds7

About 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone

1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone (PubChem CID 148662657) has the molecular formula C18H19Cl2FN2O3 and a molecular weight of 401.27 g/mol. Its IUPAC name is 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone.

Molecular Properties

Compound Name1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone
PubChem CID148662657
Molecular FormulaC18H19Cl2FN2O3
Molecular Weight401.27 g/mol
Exact Mass400.08
IUPAC Name1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone
SMILESCOc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)COCC(C)C)n2)c1F
InChIInChI=1S/C18H19Cl2FN2O3/c1-9(2)7-26-8-14(24)17-15(20)12(22)6-13(23-17)10-4-5-11(19)18(25-3)16(10)21/h4-6,9H,7-8H2,1-3H3,(H2,22,23)
InChIKeyNOCJHARETXACEV-UHFFFAOYSA-N
XLogP4.64
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone with MolForge

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Related Compounds

Halauxifen-methyl
CID 16656802
Florpyrauxifen-benzyl
CID 70495450
Halauxifen
CID 25181547
2-Pyridinecarboxylic acid, 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-, phenylmethyl ester, hydrochloride (1:1)
CID 134586705
Florpyrauxifen
CID 67420724
Methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropicolinate
CID 57412076
6-(4-Chloro-2-fluoro-3-methoxyphenyl)-4,5-difluoropyridine-2-carbonyl fluoride
CID 89950624
4-Amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid
CID 25220935
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-N-methoxypyridine-2-carboxamide
CID 46871836
Benzyl 4-amino-3-chloro-6-(4-chloro-3-ethoxy-2-fluorophenyl)-5-fluoropicolinate
CID 57412075
4-Amino-3-chloro-6-(4-chloro-3-ethoxy-2-fluorophenyl)pyridine-2-carboxylic acid
CID 57507745
Methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-formylpyridine-2-carboxylate
CID 59432086

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone?
The IUPAC name of 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone (CID 148662657) is 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone.
What is the SMILES notation for 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone?
The canonical SMILES for 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone is COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)COCC(C)C)n2)c1F.
What is the InChIKey of 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone?
The InChIKey is NOCJHARETXACEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O3/c1-9(2)7-26-8-14(24)17-15(20)12(22)6-13(23-17)10-4-5-11(19)18(25-3)16(10)21/h4-6,9H,7-8H2,1-3H3,(H2,22,23).
What are the key properties of 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone?
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone has a molecular weight of 401.27 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone is sourced from PubChem (CID 148662657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).