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

C18H17ClN2O5 — CID 113000009

IUPACmethyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNC(=O)c2ccccc2OC)c1
InChIInChI=1S/C18H17ClN2O5/c1-25-15-6-4-3-5-12(15)17(23)20-10-16(22)21-14-9-11(18(24)26-2)7-8-13(14)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyKCQNEIXRMFXTHR-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.50
Rot. Bonds6

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

methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate (PubChem CID 113000009) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate
PubChem CID113000009
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Namemethyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNC(=O)c2ccccc2OC)c1
InChIInChI=1S/C18H17ClN2O5/c1-25-15-6-4-3-5-12(15)17(23)20-10-16(22)21-14-9-11(18(24)26-2)7-8-13(14)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyKCQNEIXRMFXTHR-UHFFFAOYSA-N
XLogP2.50
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26582702
methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 40919288
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26686342
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000016
methyl 4-chloro-3-[[2-(2-ethylbutanoylamino)acetyl]amino]benzoate
CID 113000001
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate (CID 113000009) is methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)CNC(=O)c2ccccc2OC)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate?
The InChIKey is KCQNEIXRMFXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-25-15-6-4-3-5-12(15)17(23)20-10-16(22)21-14-9-11(18(24)26-2)7-8-13(14)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate has a molecular weight of 376.80 g/mol, XLogP of 2.50, 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-methoxybenzoyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 113000009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).