4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide

C22H24N2O4 — CID 26717528

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-14-6-7-15(2)24(14)18-10-8-16(9-11-18)22(25)23-17-12-19(26-3)21(28-5)20(13-17)27-4/h6-13H,1-5H3,(H,23,25)
InChIKeyCKMSSXJADFZXHC-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.37
Rot. Bonds6

About 4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide

4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 26717528) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID26717528
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-14-6-7-15(2)24(14)18-10-8-16(9-11-18)22(25)23-17-12-19(26-3)21(28-5)20(13-17)27-4/h6-13H,1-5H3,(H,23,25)
InChIKeyCKMSSXJADFZXHC-UHFFFAOYSA-N
XLogP4.37
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 26717528) is 4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is CKMSSXJADFZXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-6-7-15(2)24(14)18-10-8-16(9-11-18)22(25)23-17-12-19(26-3)21(28-5)20(13-17)27-4/h6-13H,1-5H3,(H,23,25).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 380.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 26717528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).