methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate

C18H19ClN2O4 — CID 109039100

IUPACmethyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H19ClN2O4/c1-24-16-8-7-12(19)11-15(16)21-17(22)9-10-20-14-6-4-3-5-13(14)18(23)25-2/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyGMQNGLVFZJRTGI-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.58
Rot. Bonds7

About methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate

methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate (PubChem CID 109039100) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
PubChem CID109039100
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Namemethyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H19ClN2O4/c1-24-16-8-7-12(19)11-15(16)21-17(22)9-10-20-14-6-4-3-5-13(14)18(23)25-2/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyGMQNGLVFZJRTGI-UHFFFAOYSA-N
XLogP3.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate with MolForge

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
methyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109038974
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
methyl 2-[3-(2-chloroanilino)propanoylamino]benzoate
CID 109037899
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543562
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate (CID 109039100) is methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate is COC(=O)c1ccccc1NCCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate?
The InChIKey is GMQNGLVFZJRTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-24-16-8-7-12(19)11-15(16)21-17(22)9-10-20-14-6-4-3-5-13(14)18(23)25-2/h3-8,11,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate?
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate has a molecular weight of 362.81 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109039100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).