N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide

C23H21NO5 — CID 1020050

IUPACN-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H21NO5/c1-27-19-14-21(29-3)20(28-2)13-18(19)23(26)24-17-11-9-16(10-12-17)22(25)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,24,26)
InChIKeyMFOQBEVOGHQNMU-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.20
Rot. Bonds7

About N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide

N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide (PubChem CID 1020050) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide
PubChem CID1020050
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC NameN-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H21NO5/c1-27-19-14-21(29-3)20(28-2)13-18(19)23(26)24-17-11-9-16(10-12-17)22(25)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,24,26)
InChIKeyMFOQBEVOGHQNMU-UHFFFAOYSA-N
XLogP4.20
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide (CID 1020050) is N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1OC.
What is the InChIKey of N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is MFOQBEVOGHQNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-19-14-21(29-3)20(28-2)13-18(19)23(26)24-17-11-9-16(10-12-17)22(25)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,24,26).
What are the key properties of N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide?
N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 391.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 1020050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).