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

C21H22N2O3 — CID 1217699

IUPACN-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(OC)c1
InChIInChI=1S/C21H22N2O3/c1-14-8-9-15(2)23(14)17-7-5-6-16(12-17)21(24)22-19-11-10-18(25-3)13-20(19)26-4/h5-13H,1-4H3,(H,22,24)
InChIKeyZUDQKIBNNQZRTL-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.36
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide (PubChem CID 1217699) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide
PubChem CID1217699
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(OC)c1
InChIInChI=1S/C21H22N2O3/c1-14-8-9-15(2)23(14)17-7-5-6-16(12-17)21(24)22-19-11-10-18(25-3)13-20(19)26-4/h5-13H,1-4H3,(H,22,24)
InChIKeyZUDQKIBNNQZRTL-UHFFFAOYSA-N
XLogP4.36
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide (CID 1217699) is N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide is COc1ccc(NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide?
The InChIKey is ZUDQKIBNNQZRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-8-9-15(2)23(14)17-7-5-6-16(12-17)21(24)22-19-11-10-18(25-3)13-20(19)26-4/h5-13H,1-4H3,(H,22,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide?
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)benzamide is sourced from PubChem (CID 1217699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).