4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide

C10H15BrN2O2 — CID 65111825

IUPAC4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCC(C)(C)O
InChIInChI=1S/C10H15BrN2O2/c1-10(2,15)6-12-9(14)8-4-7(11)5-13(8)3/h4-5,15H,6H2,1-3H3,(H,12,14)
InChIKeyKCQLRXQEUNTCOA-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.29
Rot. Bonds3

About 4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide (PubChem CID 65111825) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
PubChem CID65111825
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCC(C)(C)O
InChIInChI=1S/C10H15BrN2O2/c1-10(2,15)6-12-9(14)8-4-7(11)5-13(8)3/h4-5,15H,6H2,1-3H3,(H,12,14)
InChIKeyKCQLRXQEUNTCOA-UHFFFAOYSA-N
XLogP1.29
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1-methylpyrrole-2-carboxamide
CID 96565339
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 103839927
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
4-bromo-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 96570496
2-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473753
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 63193827
4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 103722169
4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 115622756
4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 64555951
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
4-bromo-N-(3-cyclopentylpropyl)-1-methylpyrrole-2-carboxamide
CID 113221337
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]butanoate
CID 60698954

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide (CID 65111825) is 4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NCC(C)(C)O.
What is the InChIKey of 4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is KCQLRXQEUNTCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-10(2,15)6-12-9(14)8-4-7(11)5-13(8)3/h4-5,15H,6H2,1-3H3,(H,12,14).
What are the key properties of 4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 275.15 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 65111825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).