methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate

C19H19ClN2O5 — CID 113176142

IUPACmethyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CC(=O)Nc1cc(Cl)ccc1OC)C(C)=O
InChIInChI=1S/C19H19ClN2O5/c1-12(23)22(16-7-5-4-6-14(16)19(25)27-3)11-18(24)21-15-10-13(20)8-9-17(15)26-2/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyGMVMMDRYQTWLIY-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.13
Rot. Bonds6

About methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate

methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate (PubChem CID 113176142) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate
PubChem CID113176142
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Namemethyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CC(=O)Nc1cc(Cl)ccc1OC)C(C)=O
InChIInChI=1S/C19H19ClN2O5/c1-12(23)22(16-7-5-4-6-14(16)19(25)27-3)11-18(24)21-15-10-13(20)8-9-17(15)26-2/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyGMVMMDRYQTWLIY-UHFFFAOYSA-N
XLogP3.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113181324
methyl 2-[acetyl-[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113176130
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113172115
2-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113170889
2-(N-acetyl-3-methoxyanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113173418
methyl 2-[acetyl-[2-(3,4-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 113176174
methyl 2-[acetyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzoate
CID 113176114
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113172867
methyl 2-[[2-(N-acetyl-2-ethoxycarbonylanilino)acetyl]amino]benzoate
CID 113180607
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113181330
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113169517

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate (CID 113176142) is methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate is COC(=O)c1ccccc1N(CC(=O)Nc1cc(Cl)ccc1OC)C(C)=O.
What is the InChIKey of methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is GMVMMDRYQTWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-12(23)22(16-7-5-4-6-14(16)19(25)27-3)11-18(24)21-15-10-13(20)8-9-17(15)26-2/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate?
methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 390.82 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).