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

C21H19NO3 — CID 90352051

IUPACmethyl 2-methoxy-5-(N-phenylanilino)benzoate
SMILESCOC(=O)c1cc(N(c2ccccc2)c2ccccc2)ccc1OC
InChIInChI=1S/C21H19NO3/c1-24-20-14-13-18(15-19(20)21(23)25-2)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3
InChIKeyXYHJVGXEABLQHW-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.95
Rot. Bonds5

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

methyl 2-methoxy-5-(N-phenylanilino)benzoate (PubChem CID 90352051) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 2-methoxy-5-(N-phenylanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(N-phenylanilino)benzoate
PubChem CID90352051
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namemethyl 2-methoxy-5-(N-phenylanilino)benzoate
SMILESCOC(=O)c1cc(N(c2ccccc2)c2ccccc2)ccc1OC
InChIInChI=1S/C21H19NO3/c1-24-20-14-13-18(15-19(20)21(23)25-2)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3
InChIKeyXYHJVGXEABLQHW-UHFFFAOYSA-N
XLogP4.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[bis(benzenesulfonyl)amino]-2-methoxybenzoate
CID 102105935
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-[(E)-2-phenylethenyl]benzoate
CID 155479645
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 4-methoxy-2-phenyl-5-(N-phenylanilino)benzoate
CID 175071679
dimethyl 5-(N-phenylanilino)benzene-1,3-dicarboxylate
CID 132511760
methyl 4-(N-naphthalen-2-ylanilino)benzoate
CID 165349713
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 5-chlorosulfonyl-2-methoxybenzoate
CID 43436733
dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate
CID 101466674
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(N-phenylanilino)benzoate?
The IUPAC name of methyl 2-methoxy-5-(N-phenylanilino)benzoate (CID 90352051) is methyl 2-methoxy-5-(N-phenylanilino)benzoate.
What is the SMILES notation for methyl 2-methoxy-5-(N-phenylanilino)benzoate?
The canonical SMILES for methyl 2-methoxy-5-(N-phenylanilino)benzoate is COC(=O)c1cc(N(c2ccccc2)c2ccccc2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-(N-phenylanilino)benzoate?
The InChIKey is XYHJVGXEABLQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-24-20-14-13-18(15-19(20)21(23)25-2)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3.
What are the key properties of methyl 2-methoxy-5-(N-phenylanilino)benzoate?
methyl 2-methoxy-5-(N-phenylanilino)benzoate has a molecular weight of 333.39 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(N-phenylanilino)benzoate is sourced from PubChem (CID 90352051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).