N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide

C17H14N2O2 — CID 39337548

IUPACN-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H14N2O2/c20-16-9-5-14(6-10-16)18-17(21)13-3-7-15(8-4-13)19-11-1-2-12-19/h1-12,20H,(H,18,21)
InChIKeyQRGIKIICOIZAJT-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.44
Rot. Bonds3

About N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide

N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide (PubChem CID 39337548) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
PubChem CID39337548
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H14N2O2/c20-16-9-5-14(6-10-16)18-17(21)13-3-7-15(8-4-13)19-11-1-2-12-19/h1-12,20H,(H,18,21)
InChIKeyQRGIKIICOIZAJT-UHFFFAOYSA-N
XLogP3.44
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110745346
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 136690135
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110302002
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 51090180
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 26645123
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrol-1-ylbenzamide
CID 27649854
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide
CID 31910662
2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
CID 45340861

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide (CID 39337548) is N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide is O=C(Nc1ccc(O)cc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is QRGIKIICOIZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16-9-5-14(6-10-16)18-17(21)13-3-7-15(8-4-13)19-11-1-2-12-19/h1-12,20H,(H,18,21).
What are the key properties of N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide?
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 278.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 39337548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).