N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide

C24H27N3O2 — CID 149191000

IUPACN-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide
SMILESNc1ccccc1CC(=O)CCCCCNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H27N3O2/c25-23-10-4-3-8-20(23)18-22(28)9-2-1-5-15-26-24(29)19-11-13-21(14-12-19)27-16-6-7-17-27/h3-4,6-8,10-14,16-17H,1-2,5,9,15,18,25H2,(H,26,29)
InChIKeyXCVCXXHYVACWGG-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.16
Rot. Bonds10

About N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide

N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide (PubChem CID 149191000) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide
PubChem CID149191000
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide
SMILESNc1ccccc1CC(=O)CCCCCNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H27N3O2/c25-23-10-4-3-8-20(23)18-22(28)9-2-1-5-15-26-24(29)19-11-13-21(14-12-19)27-16-6-7-17-27/h3-4,6-8,10-14,16-17H,1-2,5,9,15,18,25H2,(H,26,29)
InChIKeyXCVCXXHYVACWGG-UHFFFAOYSA-N
XLogP4.16
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
CID 110440991
4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926632
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-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 32603825
ethyl 4-oxo-4-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethylamino]butanoate
CID 108573499

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide (CID 149191000) is N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide is Nc1ccccc1CC(=O)CCCCCNC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is XCVCXXHYVACWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c25-23-10-4-3-8-20(23)18-22(28)9-2-1-5-15-26-24(29)19-11-13-21(14-12-19)27-16-6-7-17-27/h3-4,6-8,10-14,16-17H,1-2,5,9,15,18,25H2,(H,26,29).
What are the key properties of N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide?
N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-aminophenyl)-6-oxoheptyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 149191000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).