methyl 4-[(2-anilinoacetyl)amino]benzoate

C16H16N2O3 — CID 2969765

IUPACmethyl 4-[(2-anilinoacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)12-7-9-14(10-8-12)18-15(19)11-17-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,18,19)
InChIKeyQRROGIIHIYVZOH-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.52
Rot. Bonds5

About methyl 4-[(2-anilinoacetyl)amino]benzoate

methyl 4-[(2-anilinoacetyl)amino]benzoate (PubChem CID 2969765) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 4-[(2-anilinoacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-anilinoacetyl)amino]benzoate
PubChem CID2969765
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 4-[(2-anilinoacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)12-7-9-14(10-8-12)18-15(19)11-17-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,18,19)
InChIKeyQRROGIIHIYVZOH-UHFFFAOYSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-anilinoacetyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-anilinoacetyl)amino]benzoate (CID 2969765) is methyl 4-[(2-anilinoacetyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-anilinoacetyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-anilinoacetyl)amino]benzoate is COC(=O)c1ccc(NC(=O)CNc2ccccc2)cc1.
What is the InChIKey of methyl 4-[(2-anilinoacetyl)amino]benzoate?
The InChIKey is QRROGIIHIYVZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-16(20)12-7-9-14(10-8-12)18-15(19)11-17-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,18,19).
What are the key properties of methyl 4-[(2-anilinoacetyl)amino]benzoate?
methyl 4-[(2-anilinoacetyl)amino]benzoate has a molecular weight of 284.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-anilinoacetyl)amino]benzoate is sourced from PubChem (CID 2969765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).