4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

C12H17BrN2O2 — CID 60955759

IUPAC4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Br)c[nH]1)N(CCO)C1CCCC1
InChIInChI=1S/C12H17BrN2O2/c13-9-7-11(14-8-9)12(17)15(5-6-16)10-3-1-2-4-10/h7-8,10,14,16H,1-6H2
InChIKeyASRWIAZYQNDEFK-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.15
Rot. Bonds4

About 4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide (PubChem CID 60955759) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
PubChem CID60955759
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Br)c[nH]1)N(CCO)C1CCCC1
InChIInChI=1S/C12H17BrN2O2/c13-9-7-11(14-8-9)12(17)15(5-6-16)10-3-1-2-4-10/h7-8,10,14,16H,1-6H2
InChIKeyASRWIAZYQNDEFK-UHFFFAOYSA-N
XLogP2.15
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 54942689
4-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 54877994
4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 43576939
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106626847
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide
CID 61230753
N-cyclobutyl-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
CID 102684999
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 61114401
N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-5-carboxamide
CID 63748789
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
2-[(4-bromo-1H-pyrrole-2-carbonyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 60843658
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide (CID 60955759) is 4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide is O=C(c1cc(Br)c[nH]1)N(CCO)C1CCCC1.
What is the InChIKey of 4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ASRWIAZYQNDEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c13-9-7-11(14-8-9)12(17)15(5-6-16)10-3-1-2-4-10/h7-8,10,14,16H,1-6H2.
What are the key properties of 4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60955759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).