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

C16H15NO3 — CID 669121

IUPACmethyl 4-[(2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-20-16(19)13-7-9-14(10-8-13)17-15(18)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)
InChIKeyXDBYHWVNGBJPSG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.65
Rot. Bonds4

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

methyl 4-[(2-phenylacetyl)amino]benzoate (PubChem CID 669121) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 4-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-phenylacetyl)amino]benzoate
PubChem CID669121
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 4-[(2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-20-16(19)13-7-9-14(10-8-13)17-15(18)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)
InChIKeyXDBYHWVNGBJPSG-UHFFFAOYSA-N
XLogP2.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-phenylacetyl)amino]benzoate (CID 669121) is methyl 4-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-phenylacetyl)amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of methyl 4-[(2-phenylacetyl)amino]benzoate?
The InChIKey is XDBYHWVNGBJPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-16(19)13-7-9-14(10-8-13)17-15(18)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of methyl 4-[(2-phenylacetyl)amino]benzoate?
methyl 4-[(2-phenylacetyl)amino]benzoate has a molecular weight of 269.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 669121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).