methyl 4-(N-phenylanilino)benzoate

C20H17NO2 — CID 5110567

IUPACmethyl 4-(N-phenylanilino)benzoate
SMILESCOC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17NO2/c1-23-20(22)16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyLMPDKTVEQHXQKW-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.94
Rot. Bonds4

About methyl 4-(N-phenylanilino)benzoate

methyl 4-(N-phenylanilino)benzoate (PubChem CID 5110567) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 4-(N-phenylanilino)benzoate.

Molecular Properties

Compound Namemethyl 4-(N-phenylanilino)benzoate
PubChem CID5110567
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Namemethyl 4-(N-phenylanilino)benzoate
SMILESCOC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17NO2/c1-23-20(22)16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyLMPDKTVEQHXQKW-UHFFFAOYSA-N
XLogP4.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-phenylanilino)benzoate?
The IUPAC name of methyl 4-(N-phenylanilino)benzoate (CID 5110567) is methyl 4-(N-phenylanilino)benzoate.
What is the SMILES notation for methyl 4-(N-phenylanilino)benzoate?
The canonical SMILES for methyl 4-(N-phenylanilino)benzoate is COC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl 4-(N-phenylanilino)benzoate?
The InChIKey is LMPDKTVEQHXQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-23-20(22)16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of methyl 4-(N-phenylanilino)benzoate?
methyl 4-(N-phenylanilino)benzoate has a molecular weight of 303.36 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-phenylanilino)benzoate is sourced from PubChem (CID 5110567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).