4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide

C20H20N2O2 — CID 155384826

IUPAC4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide
SMILESO=C(CCCn1c(-c2ccccc2)ccc1-c1ccccc1)NO
InChIInChI=1S/C20H20N2O2/c23-20(21-24)12-7-15-22-18(16-8-3-1-4-9-16)13-14-19(22)17-10-5-2-6-11-17/h1-6,8-11,13-14,24H,7,12,15H2,(H,21,23)
InChIKeyJTUDQUNHZVQEIX-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.11
Rot. Bonds6

About 4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide

4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide (PubChem CID 155384826) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide.

Molecular Properties

Compound Name4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide
PubChem CID155384826
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide
SMILESO=C(CCCn1c(-c2ccccc2)ccc1-c1ccccc1)NO
InChIInChI=1S/C20H20N2O2/c23-20(21-24)12-7-15-22-18(16-8-3-1-4-9-16)13-14-19(22)17-10-5-2-6-11-17/h1-6,8-11,13-14,24H,7,12,15H2,(H,21,23)
InChIKeyJTUDQUNHZVQEIX-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
methyl 2-carbamoyl-1-[6-(hydroxyamino)-6-oxohexyl]-5-phenylpyrrole-3-carboxylate
CID 140530525
2-(2,5-diphenylpyrrol-1-yl)ethanol
CID 125482287
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide
CID 146160134
N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide
CID 87840902
6-(6,11-dioxobenzo[c][1]benzazepin-5-yl)-N-hydroxyhexanamide
CID 70696942
(8E)-N-hydroxy-8-hydroxyimino-8-(4-phenylphenyl)octanamide
CID 10088613
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide
CID 155384841
1-(2-hydroxyethyl)-5-phenylpyrrole-2-carboxylic acid
CID 82082001

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide?
The IUPAC name of 4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide (CID 155384826) is 4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide.
What is the SMILES notation for 4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide?
The canonical SMILES for 4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide is O=C(CCCn1c(-c2ccccc2)ccc1-c1ccccc1)NO.
What is the InChIKey of 4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide?
The InChIKey is JTUDQUNHZVQEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(21-24)12-7-15-22-18(16-8-3-1-4-9-16)13-14-19(22)17-10-5-2-6-11-17/h1-6,8-11,13-14,24H,7,12,15H2,(H,21,23).
What are the key properties of 4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide?
4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide has a molecular weight of 320.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide is sourced from PubChem (CID 155384826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).