5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine

C23H21Cl2FN2O2 — CID 155441905

IUPAC5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine
SMILESCCOc1cc(OC)c(Cl)c(/C=C(\F)c2ccc(Nc3ccccc3C)nc2)c1Cl
InChIInChI=1S/C23H21Cl2FN2O2/c1-4-30-20-12-19(29-3)22(24)16(23(20)25)11-17(26)15-9-10-21(27-13-15)28-18-8-6-5-7-14(18)2/h5-13H,4H2,1-3H3,(H,27,28)/b17-11-
InChIKeyNGOOLTXVVMWBRY-BOPFTXTBSA-N
MW447.34 g/mol
LogP7.32
Rot. Bonds7

About 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine

5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine (PubChem CID 155441905) has the molecular formula C23H21Cl2FN2O2 and a molecular weight of 447.34 g/mol. Its IUPAC name is 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine
PubChem CID155441905
Molecular FormulaC23H21Cl2FN2O2
Molecular Weight447.34 g/mol
Exact Mass446.10
IUPAC Name5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine
SMILESCCOc1cc(OC)c(Cl)c(/C=C(\F)c2ccc(Nc3ccccc3C)nc2)c1Cl
InChIInChI=1S/C23H21Cl2FN2O2/c1-4-30-20-12-19(29-3)22(24)16(23(20)25)11-17(26)15-9-10-21(27-13-15)28-18-8-6-5-7-14(18)2/h5-13H,4H2,1-3H3,(H,27,28)/b17-11-
InChIKeyNGOOLTXVVMWBRY-BOPFTXTBSA-N
XLogP7.32
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine with MolForge

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Related Compounds

5-[(Z)-2-(3-cyclopropyl-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine
CID 142350989
N-[2-[[5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-1-fluoroethenyl]pyrimidin-2-yl]amino]-3-methylphenyl]prop-2-enamide
CID 142350992
6-(2-methylanilino)pyridine-3-carbonyl chloride
CID 151910424
6-(2-ethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109164093
1-[2-[[5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-1-fluoroethenyl]pyrazin-2-yl]amino]-3-methylphenyl]but-3-en-2-one
CID 161445035
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163247
6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157181
6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109162131
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
6-(2-ethoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156225

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine?
The IUPAC name of 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine (CID 155441905) is 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine?
The canonical SMILES for 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine is CCOc1cc(OC)c(Cl)c(/C=C(\F)c2ccc(Nc3ccccc3C)nc2)c1Cl.
What is the InChIKey of 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine?
The InChIKey is NGOOLTXVVMWBRY-BOPFTXTBSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O2/c1-4-30-20-12-19(29-3)22(24)16(23(20)25)11-17(26)15-9-10-21(27-13-15)28-18-8-6-5-7-14(18)2/h5-13H,4H2,1-3H3,(H,27,28)/b17-11-.
What are the key properties of 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine?
5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine has a molecular weight of 447.34 g/mol, XLogP of 7.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(2,6-dichloro-3-ethoxy-5-methoxyphenyl)-1-fluoroethenyl]-N-(2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 155441905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).