4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid

C17H16ClNO6 — CID 45397187

IUPAC4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)O)cc2OC)cc1Cl
InChIInChI=1S/C17H16ClNO6/c1-23-13-6-4-11(8-12(13)18)19-16(20)9-25-14-5-3-10(17(21)22)7-15(14)24-2/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyWXYCEMJEMFYQPL-UHFFFAOYSA-N
MW365.77 g/mol
LogP3.07
Rot. Bonds7

About 4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid

4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid (PubChem CID 45397187) has the molecular formula C17H16ClNO6 and a molecular weight of 365.77 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
PubChem CID45397187
Molecular FormulaC17H16ClNO6
Molecular Weight365.77 g/mol
Exact Mass365.07
IUPAC Name4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)O)cc2OC)cc1Cl
InChIInChI=1S/C17H16ClNO6/c1-23-13-6-4-11(8-12(13)18)19-16(20)9-25-14-5-3-10(17(21)22)7-15(14)24-2/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyWXYCEMJEMFYQPL-UHFFFAOYSA-N
XLogP3.07
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2637238
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2709416
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126246243
N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 129156953
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085792
N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide
CID 23409469

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid (CID 45397187) is 4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid is COc1ccc(NC(=O)COc2ccc(C(=O)O)cc2OC)cc1Cl.
What is the InChIKey of 4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid?
The InChIKey is WXYCEMJEMFYQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO6/c1-23-13-6-4-11(8-12(13)18)19-16(20)9-25-14-5-3-10(17(21)22)7-15(14)24-2/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid?
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid has a molecular weight of 365.77 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 45397187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).