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

C19H21N3O — CID 43822414

IUPACN,4-bis(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C19H21N3O/c1-13-5-6-14(2)21(13)18-11-9-17(10-12-18)19(23)20-22-15(3)7-8-16(22)4/h5-12H,1-4H3,(H,20,23)
InChIKeyROAGSJUUMYHVLZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.90
Rot. Bonds3

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

N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide (PubChem CID 43822414) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide.

Molecular Properties

Compound NameN,4-bis(2,5-dimethylpyrrol-1-yl)benzamide
PubChem CID43822414
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN,4-bis(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(-n2c(C)ccc2C)cc1
InChIInChI=1S/C19H21N3O/c1-13-5-6-14(2)21(13)18-11-9-17(10-12-18)19(23)20-22-15(3)7-8-16(22)4/h5-12H,1-4H3,(H,20,23)
InChIKeyROAGSJUUMYHVLZ-UHFFFAOYSA-N
XLogP3.90
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,4-bis(2,5-dimethylpyrrol-1-yl)benzamide?
The IUPAC name of N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide (CID 43822414) is N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide.
What is the SMILES notation for N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide?
The canonical SMILES for N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide is Cc1ccc(C)n1NC(=O)c1ccc(-n2c(C)ccc2C)cc1.
What is the InChIKey of N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide?
The InChIKey is ROAGSJUUMYHVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-5-6-14(2)21(13)18-11-9-17(10-12-18)19(23)20-22-15(3)7-8-16(22)4/h5-12H,1-4H3,(H,20,23).
What are the key properties of N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide?
N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide has a molecular weight of 307.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(2,5-dimethylpyrrol-1-yl)benzamide is sourced from PubChem (CID 43822414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).