5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide

C15H18N2O — CID 126493143

IUPAC5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2)[nH]1
InChIInChI=1S/C15H18N2O/c1-15(2,3)13-10-9-12(17-13)14(18)16-11-7-5-4-6-8-11/h4-10,17H,1-3H3,(H,16,18)
InChIKeyBVBNGSXWPUSIDQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.56
Rot. Bonds2

About 5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide

5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 126493143) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide
PubChem CID126493143
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2)[nH]1
InChIInChI=1S/C15H18N2O/c1-15(2,3)13-10-9-12(17-13)14(18)16-11-7-5-4-6-8-11/h4-10,17H,1-3H3,(H,16,18)
InChIKeyBVBNGSXWPUSIDQ-UHFFFAOYSA-N
XLogP3.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(4-tert-butylphenyl)-4-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide (CID 126493143) is 5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2)[nH]1.
What is the InChIKey of 5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is BVBNGSXWPUSIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,3)13-10-9-12(17-13)14(18)16-11-7-5-4-6-8-11/h4-10,17H,1-3H3,(H,16,18).
What are the key properties of 5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide?
5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126493143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).