4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide

C17H17N3O — CID 110742702

IUPAC4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H17N3O/c21-17(18-9-14-19-10-1-2-11-19)15-5-7-16(8-6-15)20-12-3-4-13-20/h1-8,10-13H,9,14H2,(H,18,21)
InChIKeyVJBHOTBTVXSHFI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.71
Rot. Bonds5

About 4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide

4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide (PubChem CID 110742702) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
PubChem CID110742702
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H17N3O/c21-17(18-9-14-19-10-1-2-11-19)15-5-7-16(8-6-15)20-12-3-4-13-20/h1-8,10-13H,9,14H2,(H,18,21)
InChIKeyVJBHOTBTVXSHFI-UHFFFAOYSA-N
XLogP2.71
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
CID 110440991
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716261
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110310794
N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926632

Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide?
The IUPAC name of 4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide (CID 110742702) is 4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide.
What is the SMILES notation for 4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide?
The canonical SMILES for 4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide is O=C(NCCn1cccc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide?
The InChIKey is VJBHOTBTVXSHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(18-9-14-19-10-1-2-11-19)15-5-7-16(8-6-15)20-12-3-4-13-20/h1-8,10-13H,9,14H2,(H,18,21).
What are the key properties of 4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide?
4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide is sourced from PubChem (CID 110742702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).