methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate

C18H18ClNO4 — CID 8909813

IUPACmethyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)COc2cccc(C)c2C)c1
InChIInChI=1S/C18H18ClNO4/c1-11-5-4-6-16(12(11)2)24-10-17(21)20-15-9-13(18(22)23-3)7-8-14(15)19/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyIGTMHQIVLNMMGK-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.76
Rot. Bonds5

About methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate

methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate (PubChem CID 8909813) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
PubChem CID8909813
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Namemethyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)COc2cccc(C)c2C)c1
InChIInChI=1S/C18H18ClNO4/c1-11-5-4-6-16(12(11)2)24-10-17(21)20-15-9-13(18(22)23-3)7-8-14(15)19/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyIGTMHQIVLNMMGK-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
methyl 4-chloro-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 8910012
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657
methyl 4-chloro-3-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]benzoate
CID 30396160
N-(4-amino-2-chlorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867352
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
N-(5-chloro-2-fluorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 8759085
methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 7840872
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 3-chloro-4-[2-oxo-2-(2,4,5-trichloroanilino)ethoxy]benzoate
CID 55320888
methyl 3-bromo-4-[2-(2-methylanilino)-2-oxoethoxy]benzoate
CID 36531543
methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 103606710

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate (CID 8909813) is methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)COc2cccc(C)c2C)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
The InChIKey is IGTMHQIVLNMMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-11-5-4-6-16(12(11)2)24-10-17(21)20-15-9-13(18(22)23-3)7-8-14(15)19/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate has a molecular weight of 347.80 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 8909813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).