methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate

C17H17ClN2O4 — CID 109009027

IUPACmethyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C17H17ClN2O4/c1-23-15-6-4-3-5-13(15)20-16(21)10-19-14-9-11(17(22)24-2)7-8-12(14)18/h3-9,19H,10H2,1-2H3,(H,20,21)
InChIKeyYOZUHEGSGQDINY-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.19
Rot. Bonds6

About methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate

methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate (PubChem CID 109009027) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
PubChem CID109009027
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Namemethyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C17H17ClN2O4/c1-23-15-6-4-3-5-13(15)20-16(21)10-19-14-9-11(17(22)24-2)7-8-12(14)18/h3-9,19H,10H2,1-2H3,(H,20,21)
InChIKeyYOZUHEGSGQDINY-UHFFFAOYSA-N
XLogP3.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17425229
methyl 4-chloro-3-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009549
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 113000009
methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 40919288
methyl 4-chloro-3-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]benzoate
CID 109008060
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
CID 109010264
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951
methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate
CID 109009875

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate (CID 109009027) is methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NCC(=O)Nc2ccccc2OC)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is YOZUHEGSGQDINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-23-15-6-4-3-5-13(15)20-16(21)10-19-14-9-11(17(22)24-2)7-8-12(14)18/h3-9,19H,10H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate?
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 348.79 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109009027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).