N-tert-butyl-4-pyrrol-1-ylbenzamide

C15H18N2O — CID 51261804

IUPACN-tert-butyl-4-pyrrol-1-ylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N2O/c1-15(2,3)16-14(18)12-6-8-13(9-7-12)17-10-4-5-11-17/h4-11H,1-3H3,(H,16,18)
InChIKeyOBOQCHPINAAYPL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.01
Rot. Bonds2

About N-tert-butyl-4-pyrrol-1-ylbenzamide

N-tert-butyl-4-pyrrol-1-ylbenzamide (PubChem CID 51261804) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-tert-butyl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-4-pyrrol-1-ylbenzamide
PubChem CID51261804
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-tert-butyl-4-pyrrol-1-ylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N2O/c1-15(2,3)16-14(18)12-6-8-13(9-7-12)17-10-4-5-11-17/h4-11H,1-3H3,(H,16,18)
InChIKeyOBOQCHPINAAYPL-UHFFFAOYSA-N
XLogP3.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide
CID 115884453
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
CID 24536054
N-tert-butyl-4-(125I)iodo(125I)benzamide
CID 177457231
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide
CID 110308956
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 134045728
4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
CID 10892724
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
N-tert-butyl-4-carbamothioylbenzamide
CID 24710015
N,N-dimethyl-4-pyrrol-1-ylbenzamide
CID 60682223

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-tert-butyl-4-pyrrol-1-ylbenzamide (CID 51261804) is N-tert-butyl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-tert-butyl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-tert-butyl-4-pyrrol-1-ylbenzamide is CC(C)(C)NC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-tert-butyl-4-pyrrol-1-ylbenzamide?
The InChIKey is OBOQCHPINAAYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,3)16-14(18)12-6-8-13(9-7-12)17-10-4-5-11-17/h4-11H,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-4-pyrrol-1-ylbenzamide?
N-tert-butyl-4-pyrrol-1-ylbenzamide has a molecular weight of 242.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 51261804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).