4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one

C23H25ClN2O4 — CID 46911144

IUPAC4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(CNc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C23H25ClN2O4/c1-23(2,28)15-30-20-9-8-19(13-21(20)29-3)26-11-10-16(12-22(26)27)14-25-18-6-4-17(24)5-7-18/h4-13,25,28H,14-15H2,1-3H3
InChIKeyOWVJFLOWTRTEOY-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.26
Rot. Bonds8

About 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one

4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one (PubChem CID 46911144) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
PubChem CID46911144
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(CNc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C23H25ClN2O4/c1-23(2,28)15-30-20-9-8-19(13-21(20)29-3)26-11-10-16(12-22(26)27)14-25-18-6-4-17(24)5-7-18/h4-13,25,28H,14-15H2,1-3H3
InChIKeyOWVJFLOWTRTEOY-UHFFFAOYSA-N
XLogP4.26
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one with MolForge

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Related Compounds

JNK3 inhibitor 4
CID 46911363
(E)-3-(2-chlorophenyl)-N-[3-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 44535192
(E)-3-(2-chlorophenyl)-N-[3-[2-[4-(cyclopropylamino)piperidin-1-yl]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 44535193
N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 46799438
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide;oxalic acid
CID 16247538
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 24818263
N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42906635
N-(4-chlorobenzyl)-N'-(3,4-dimethoxyphenyl)ethanediamide
CID 2985471
N1-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-N2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)oxalamide
CID 42268990
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-ethyl-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 118986723
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 2540045

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
The IUPAC name of 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one (CID 46911144) is 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
The canonical SMILES for 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one is COc1cc(-n2ccc(CNc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)(C)O.
What is the InChIKey of 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
The InChIKey is OWVJFLOWTRTEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-23(2,28)15-30-20-9-8-19(13-21(20)29-3)26-11-10-16(12-22(26)27)14-25-18-6-4-17(24)5-7-18/h4-13,25,28H,14-15H2,1-3H3.
What are the key properties of 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one has a molecular weight of 428.92 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloroanilino)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one is sourced from PubChem (CID 46911144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).