2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide

C17H17ClN2O4 — CID 18085795

IUPAC2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(C)cc2Cl)c1
InChIInChI=1S/C17H17ClN2O4/c1-10-3-6-14(13(18)7-10)20-16(21)9-24-15-8-11(23-2)4-5-12(15)17(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyWBBJWCUNMBFOPW-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.77
Rot. Bonds6

About 2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide

2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide (PubChem CID 18085795) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide
PubChem CID18085795
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(C)cc2Cl)c1
InChIInChI=1S/C17H17ClN2O4/c1-10-3-6-14(13(18)7-10)20-16(21)9-24-15-8-11(23-2)4-5-12(15)17(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyWBBJWCUNMBFOPW-UHFFFAOYSA-N
XLogP2.77
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110777937
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085792
2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide
CID 24585355
methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704925
2-(2-chloro-5-methylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 7778322
4-methoxy-2-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]benzamide
CID 18085837
4-methoxy-2-[2-oxo-2-(2-phenoxyanilino)ethoxy]benzamide
CID 17478551
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
CID 47014341
2-(2-acetyl-4-chlorophenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7167790
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide?
The IUPAC name of 2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide (CID 18085795) is 2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(C)cc2Cl)c1.
What is the InChIKey of 2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide?
The InChIKey is WBBJWCUNMBFOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10-3-6-14(13(18)7-10)20-16(21)9-24-15-8-11(23-2)4-5-12(15)17(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide?
2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide has a molecular weight of 348.79 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide is sourced from PubChem (CID 18085795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).