methyl 3-[(4-methylbenzoyl)amino]benzoate

C16H15NO3 — CID 774521

IUPACmethyl 3-[(4-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H15NO3/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-4-13(10-14)16(19)20-2/h3-10H,1-2H3,(H,17,18)
InChIKeyGZLCETKUTVIGQQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.03
Rot. Bonds3

About methyl 3-[(4-methylbenzoyl)amino]benzoate

methyl 3-[(4-methylbenzoyl)amino]benzoate (PubChem CID 774521) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 3-[(4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methylbenzoyl)amino]benzoate
PubChem CID774521
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 3-[(4-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H15NO3/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-4-13(10-14)16(19)20-2/h3-10H,1-2H3,(H,17,18)
InChIKeyGZLCETKUTVIGQQ-UHFFFAOYSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(4-methylbenzoyl)amino]benzoate (CID 774521) is methyl 3-[(4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(4-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(4-methylbenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of methyl 3-[(4-methylbenzoyl)amino]benzoate?
The InChIKey is GZLCETKUTVIGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-4-13(10-14)16(19)20-2/h3-10H,1-2H3,(H,17,18).
What are the key properties of methyl 3-[(4-methylbenzoyl)amino]benzoate?
methyl 3-[(4-methylbenzoyl)amino]benzoate has a molecular weight of 269.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 774521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).