N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide

C16H20N2O2 — CID 115884453

IUPACN-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide
SMILESCC(O)C(C)(C)NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H20N2O2/c1-12(19)16(2,3)17-15(20)13-6-8-14(9-7-13)18-10-4-5-11-18/h4-12,19H,1-3H3,(H,17,20)
InChIKeyXIRFXPSLBGIUPL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.37
Rot. Bonds4

About N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide

N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 115884453) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide
PubChem CID115884453
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide
SMILESCC(O)C(C)(C)NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H20N2O2/c1-12(19)16(2,3)17-15(20)13-6-8-14(9-7-13)18-10-4-5-11-18/h4-12,19H,1-3H3,(H,17,20)
InChIKeyXIRFXPSLBGIUPL-UHFFFAOYSA-N
XLogP2.37
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4-pyrrol-1-ylbenzamide
CID 51261804
N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 134045728
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393614
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393615
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314
3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884425
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
N-(1-cyano-2-methylpropyl)-4-pyrrol-1-ylbenzamide
CID 82304828
N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 18161077
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 55964825
N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
CID 24536054

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide (CID 115884453) is N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide is CC(O)C(C)(C)NC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is XIRFXPSLBGIUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(19)16(2,3)17-15(20)13-6-8-14(9-7-13)18-10-4-5-11-18/h4-12,19H,1-3H3,(H,17,20).
What are the key properties of N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide?
N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 115884453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).