methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate

C16H14N2O4 — CID 108986708

IUPACmethyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)11-6-5-9-13(10-11)18-15(20)14(19)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)(H,18,20)
InChIKeyDDCNJDALQMVYBL-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.05
Rot. Bonds3

About methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate

methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate (PubChem CID 108986708) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
PubChem CID108986708
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namemethyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)11-6-5-9-13(10-11)18-15(20)14(19)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)(H,18,20)
InChIKeyDDCNJDALQMVYBL-UHFFFAOYSA-N
XLogP2.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-(4-acetylanilino)-2-oxoacetyl]amino]benzoate
CID 108987464
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[[2-oxo-2-(4-propan-2-ylanilino)acetyl]amino]benzoate
CID 108986948
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 3-[[2-(4-bromo-3-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108987523
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
methyl 3-(2-phenylpropanoylamino)benzoate
CID 104916705
ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108987542
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate
CID 732141
methyl 3-(2-ethoxyprop-2-enoylamino)benzoate
CID 19003897

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate (CID 108986708) is methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate is COC(=O)c1cccc(NC(=O)C(=O)Nc2ccccc2)c1.
What is the InChIKey of methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate?
The InChIKey is DDCNJDALQMVYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-16(21)11-6-5-9-13(10-11)18-15(20)14(19)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate?
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate has a molecular weight of 298.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate is sourced from PubChem (CID 108986708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).