methyl 4-(4-benzamidophenyl)benzoate

C21H17NO3 — CID 86766302

IUPACmethyl 4-(4-benzamidophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO3/c1-25-21(24)18-9-7-15(8-10-18)16-11-13-19(14-12-16)22-20(23)17-5-3-2-4-6-17/h2-14H,1H3,(H,22,23)
InChIKeyCBYFXCNUWJGQKP-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.39
Rot. Bonds4

About methyl 4-(4-benzamidophenyl)benzoate

methyl 4-(4-benzamidophenyl)benzoate (PubChem CID 86766302) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 4-(4-benzamidophenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-benzamidophenyl)benzoate
PubChem CID86766302
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Namemethyl 4-(4-benzamidophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO3/c1-25-21(24)18-9-7-15(8-10-18)16-11-13-19(14-12-16)22-20(23)17-5-3-2-4-6-17/h2-14H,1H3,(H,22,23)
InChIKeyCBYFXCNUWJGQKP-UHFFFAOYSA-N
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9804992
CID 9804992
CID 108143
CID 108143
CID 12914
CID 12914
CID 730634
CID 730634
CID 5353376
CID 5353376
CID 669121
CID 669121
CID 2826191
CID 2826191
CID 759219
CID 759219
CID 2827422
CID 2827422
CID 689910
CID 689910
CID 914489
CID 914489
CID 2298826
CID 2298826

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-benzamidophenyl)benzoate?
The IUPAC name of methyl 4-(4-benzamidophenyl)benzoate (CID 86766302) is methyl 4-(4-benzamidophenyl)benzoate.
What is the SMILES notation for methyl 4-(4-benzamidophenyl)benzoate?
The canonical SMILES for methyl 4-(4-benzamidophenyl)benzoate is COC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-(4-benzamidophenyl)benzoate?
The InChIKey is CBYFXCNUWJGQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-25-21(24)18-9-7-15(8-10-18)16-11-13-19(14-12-16)22-20(23)17-5-3-2-4-6-17/h2-14H,1H3,(H,22,23).
What are the key properties of methyl 4-(4-benzamidophenyl)benzoate?
methyl 4-(4-benzamidophenyl)benzoate has a molecular weight of 331.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-benzamidophenyl)benzoate is sourced from PubChem (CID 86766302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).