4-(3,4,5-trimethoxyphenyl)benzamide

C16H17NO4 — CID 39746262

IUPAC4-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(-c2ccc(C(N)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C16H17NO4/c1-19-13-8-12(9-14(20-2)15(13)21-3)10-4-6-11(7-5-10)16(17)18/h4-9H,1-3H3,(H2,17,18)
InChIKeyBYPBQPNSKZVRJK-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.48
Rot. Bonds5

About 4-(3,4,5-trimethoxyphenyl)benzamide

4-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 39746262) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID39746262
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name4-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(-c2ccc(C(N)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C16H17NO4/c1-19-13-8-12(9-14(20-2)15(13)21-3)10-4-6-11(7-5-10)16(17)18/h4-9H,1-3H3,(H2,17,18)
InChIKeyBYPBQPNSKZVRJK-UHFFFAOYSA-N
XLogP2.48
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
4-[7-hydroxy-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]benzamide
CID 77189155
2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide
CID 86299303
4-[1-(4-methylphenyl)sulfonyl-5-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]benzamide
CID 11260671
4-[[6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide
CID 3043892
4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545250
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide
CID 146729749

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)benzamide (CID 39746262) is 4-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(-c2ccc(C(N)=O)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is BYPBQPNSKZVRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-13-8-12(9-14(20-2)15(13)21-3)10-4-6-11(7-5-10)16(17)18/h4-9H,1-3H3,(H2,17,18).
What are the key properties of 4-(3,4,5-trimethoxyphenyl)benzamide?
4-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 39746262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).