methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate

C17H16ClNO5 — CID 94600273

IUPACmethyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)COc2cccc(OC)c2)ccc1Cl
InChIInChI=1S/C17H16ClNO5/c1-22-12-4-3-5-13(9-12)24-10-16(20)19-11-6-7-15(18)14(8-11)17(21)23-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyWQLRJNHVAXYRSX-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.15
Rot. Bonds6

About methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate

methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate (PubChem CID 94600273) has the molecular formula C17H16ClNO5 and a molecular weight of 349.77 g/mol. Its IUPAC name is methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
PubChem CID94600273
Molecular FormulaC17H16ClNO5
Molecular Weight349.77 g/mol
Exact Mass349.07
IUPAC Namemethyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)COc2cccc(OC)c2)ccc1Cl
InChIInChI=1S/C17H16ClNO5/c1-22-12-4-3-5-13(9-12)24-10-16(20)19-11-6-7-15(18)14(8-11)17(21)23-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyWQLRJNHVAXYRSX-UHFFFAOYSA-N
XLogP3.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 38236114
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
N-(3-amino-4-ethylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867334
N-(3-amino-4-methylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867332
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
N-[3-[[2-(3-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 87016346
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-(3-methoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 19204089

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate (CID 94600273) is methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)COc2cccc(OC)c2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is WQLRJNHVAXYRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5/c1-22-12-4-3-5-13(9-12)24-10-16(20)19-11-6-7-15(18)14(8-11)17(21)23-2/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate?
methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 349.77 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 94600273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).