N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide

C20H20N2O2 — CID 86972966

IUPACN-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(NCCCc1ccc(O)cc1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C20H20N2O2/c23-19-10-8-16(9-11-19)5-4-12-21-20(24)17-6-3-7-18(15-17)22-13-1-2-14-22/h1-3,6-11,13-15,23H,4-5,12H2,(H,21,24)
InChIKeyIZIWNBCJLKVWJZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.55
Rot. Bonds6

About N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide

N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide (PubChem CID 86972966) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
PubChem CID86972966
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(NCCCc1ccc(O)cc1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C20H20N2O2/c23-19-10-8-16(9-11-19)5-4-12-21-20(24)17-6-3-7-18(15-17)22-13-1-2-14-22/h1-3,6-11,13-15,23H,4-5,12H2,(H,21,24)
InChIKeyIZIWNBCJLKVWJZ-UHFFFAOYSA-N
XLogP3.55
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110310749
N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
CID 110356799
N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
CID 110617094
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide
CID 110309684
3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86972888
3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 17453938
N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 35154530
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-pyrrol-1-ylbenzamide
CID 166425463
4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86974402
N'-(3-pyrrol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78815877
3-[(2-cyanophenyl)methoxy]-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86972910

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide (CID 86972966) is N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide is O=C(NCCCc1ccc(O)cc1)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is IZIWNBCJLKVWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-10-8-16(9-11-19)5-4-12-21-20(24)17-6-3-7-18(15-17)22-13-1-2-14-22/h1-3,6-11,13-15,23H,4-5,12H2,(H,21,24).
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide?
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 320.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 86972966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).