4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide

C11H17BrN2O2 — CID 103825097

IUPAC4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H17BrN2O2/c1-11(2,3-4-15)7-14-10(16)9-5-8(12)6-13-9/h5-6,13,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyRDMVXUNPPDVDKY-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.92
Rot. Bonds5

About 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide (PubChem CID 103825097) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide
PubChem CID103825097
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H17BrN2O2/c1-11(2,3-4-15)7-14-10(16)9-5-8(12)6-13-9/h5-6,13,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyRDMVXUNPPDVDKY-UHFFFAOYSA-N
XLogP1.92
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Bromo-1H-pyrrol-2-yl)(piperidin-1-yl)methanone
CID 2766365
4-Bromo-1H-pyrrole-2-carboxamide
CID 15346823
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(1H-pyrrol-2-ylformamido)butanamide
CID 25093407
4-bromo-N-methyl-1H-pyrrole-2-carboxamide
CID 2766364
Clathramide D
CID 10783555
Mukanadin C
CID 10704662
N-[(3Z)-3-(2-amino-5-oxo-1H-imidazol-4-ylidene)propyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 135457331
Clathramide C
CID 10569362
N-benzyl-4-bromo-N-propyl-1H-pyrrole-2-carboxamide
CID 31741324
4-bromo-N-[4-[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]propylamino]butyl]-1H-pyrrole-2-carboxamide
CID 44339649
N-benzyl-4-bromo-N-butyl-1H-pyrrole-2-carboxamide
CID 73212751
N-benzyl-4-bromo-N-pentyl-1H-pyrrole-2-carboxamide
CID 73212752

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide (CID 103825097) is 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide is CC(C)(CCO)CNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RDMVXUNPPDVDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-11(2,3-4-15)7-14-10(16)9-5-8(12)6-13-9/h5-6,13,15H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide has a molecular weight of 289.17 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103825097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).