N-(4-benzoylphenyl)-3-methoxybenzamide

C21H17NO3 — CID 837710

IUPACN-(4-benzoylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H17NO3/c1-25-19-9-5-8-17(14-19)21(24)22-18-12-10-16(11-13-18)20(23)15-6-3-2-4-7-15/h2-14H,1H3,(H,22,24)
InChIKeyIVCGOEBBXRGNLH-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.18
Rot. Bonds5

About N-(4-benzoylphenyl)-3-methoxybenzamide

N-(4-benzoylphenyl)-3-methoxybenzamide (PubChem CID 837710) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-3-methoxybenzamide
PubChem CID837710
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC NameN-(4-benzoylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H17NO3/c1-25-19-9-5-8-17(14-19)21(24)22-18-12-10-16(11-13-18)20(23)15-6-3-2-4-7-15/h2-14H,1H3,(H,22,24)
InChIKeyIVCGOEBBXRGNLH-UHFFFAOYSA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-3-methoxybenzamide?
The IUPAC name of N-(4-benzoylphenyl)-3-methoxybenzamide (CID 837710) is N-(4-benzoylphenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(4-benzoylphenyl)-3-methoxybenzamide?
The canonical SMILES for N-(4-benzoylphenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-(4-benzoylphenyl)-3-methoxybenzamide?
The InChIKey is IVCGOEBBXRGNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-25-19-9-5-8-17(14-19)21(24)22-18-12-10-16(11-13-18)20(23)15-6-3-2-4-7-15/h2-14H,1H3,(H,22,24).
What are the key properties of N-(4-benzoylphenyl)-3-methoxybenzamide?
N-(4-benzoylphenyl)-3-methoxybenzamide has a molecular weight of 331.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 837710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).