methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate

C18H18ClNO5 — CID 2637238

IUPACmethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1
InChIInChI=1S/C18H18ClNO5/c1-11-4-6-13(9-14(11)19)20-17(21)10-25-15-7-5-12(18(22)24-3)8-16(15)23-2/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyUSFLPUSDXAIBGQ-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.46
Rot. Bonds6

About methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate

methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate (PubChem CID 2637238) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate
PubChem CID2637238
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Namemethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1
InChIInChI=1S/C18H18ClNO5/c1-11-4-6-13(9-14(11)19)20-17(21)10-25-15-7-5-12(18(22)24-3)8-16(15)23-2/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyUSFLPUSDXAIBGQ-UHFFFAOYSA-N
XLogP3.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273033
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 129156953
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
2-(2,4-dichloro-6-methylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 1348476
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907903
2-[4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 110842433
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate?
The IUPAC name of methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate (CID 2637238) is methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate is COC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1.
What is the InChIKey of methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate?
The InChIKey is USFLPUSDXAIBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-11-4-6-13(9-14(11)19)20-17(21)10-25-15-7-5-12(18(22)24-3)8-16(15)23-2/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate?
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate has a molecular weight of 363.80 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate is sourced from PubChem (CID 2637238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).