methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate

C17H15ClN2O4 — CID 110666935

IUPACmethyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H15ClN2O4/c1-24-17(23)12-7-8-13(18)14(9-12)20-15(21)10-19-16(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyVBEYAWFZKHCLKP-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.50
Rot. Bonds5

About methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate

methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate (PubChem CID 110666935) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
PubChem CID110666935
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Namemethyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H15ClN2O4/c1-24-17(23)12-7-8-13(18)14(9-12)20-15(21)10-19-16(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyVBEYAWFZKHCLKP-UHFFFAOYSA-N
XLogP2.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenylacetyl)amino]benzoate
CID 956278
methyl 4-chloro-3-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999940
methyl 4-chloro-3-[[2-(2-ethylbutanoylamino)acetyl]amino]benzoate
CID 113000001
methyl 3-[[2-(butanoylamino)acetyl]amino]-4-chlorobenzoate
CID 112999994
methyl 4-chloro-3-[(5-oxo-5-phenylpentanoyl)amino]benzoate
CID 110356123
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000016
methyl 3-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-chlorobenzoate
CID 18281701
methyl 4-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxybenzoate
CID 108767112
methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
CID 109010264

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate (CID 110666935) is methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC(=O)CNC(=O)c2ccccc2)c1.
What is the InChIKey of methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate?
The InChIKey is VBEYAWFZKHCLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-24-17(23)12-7-8-13(18)14(9-12)20-15(21)10-19-16(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate?
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate has a molecular weight of 346.77 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate is sourced from PubChem (CID 110666935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).