methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate

C27H23NO3 — CID 175071679

IUPACmethyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate
SMILESCOC(=O)c1cc(N(c2ccccc2)c2ccccc2)c(OC)cc1-c1ccccc1
InChIInChI=1S/C27H23NO3/c1-30-26-19-23(20-12-6-3-7-13-20)24(27(29)31-2)18-25(26)28(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3
InChIKeyRGRVYJVBHKEBGR-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.62
Rot. Bonds6

About methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate

methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate (PubChem CID 175071679) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate
PubChem CID175071679
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Namemethyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate
SMILESCOC(=O)c1cc(N(c2ccccc2)c2ccccc2)c(OC)cc1-c1ccccc1
InChIInChI=1S/C27H23NO3/c1-30-26-19-23(20-12-6-3-7-13-20)24(27(29)31-2)18-25(26)28(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3
InChIKeyRGRVYJVBHKEBGR-UHFFFAOYSA-N
XLogP6.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 2,5-bis(N-phenylanilino)benzene-1,4-dicarboxylate
CID 18332104
dimethyl 4,5-bis(N-phenylanilino)benzene-1,2-dicarboxylate
CID 102133313
methyl 2-methoxy-5-(N-phenylanilino)benzoate
CID 90352051
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate
CID 132566202
[5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol
CID 118603901
methyl 4-(methylperoxymethyl)-2,5-bis(N-phenylanilino)benzoate
CID 20710151
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
methyl 4-amino-2-phenylbenzoate
CID 15406988
methyl 2-phenyl-4-sulfanylbenzoate
CID 54364019
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate?
The IUPAC name of methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate (CID 175071679) is methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate.
What is the SMILES notation for methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate?
The canonical SMILES for methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate is COC(=O)c1cc(N(c2ccccc2)c2ccccc2)c(OC)cc1-c1ccccc1.
What is the InChIKey of methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate?
The InChIKey is RGRVYJVBHKEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c1-30-26-19-23(20-12-6-3-7-13-20)24(27(29)31-2)18-25(26)28(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3.
What are the key properties of methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate?
methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate has a molecular weight of 409.49 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate is sourced from PubChem (CID 175071679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).