4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide

C12H17BrN2O2 — CID 66005799

IUPAC4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCC1CC(O)C1
InChIInChI=1S/C12H17BrN2O2/c1-2-15-7-9(13)5-11(15)12(17)14-6-8-3-10(16)4-8/h5,7-8,10,16H,2-4,6H2,1H3,(H,14,17)
InChIKeySKJFVQNKGVMKOD-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.77
Rot. Bonds4

About 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide

4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide (PubChem CID 66005799) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
PubChem CID66005799
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCC1CC(O)C1
InChIInChI=1S/C12H17BrN2O2/c1-2-15-7-9(13)5-11(15)12(17)14-6-8-3-10(16)4-8/h5,7-8,10,16H,2-4,6H2,1H3,(H,14,17)
InChIKeySKJFVQNKGVMKOD-UHFFFAOYSA-N
XLogP1.77
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-1-ethylpyrrole-2-carboxamide
CID 54914323
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510103
(4-bromo-1-ethylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764298
4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 106118907
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
CID 106012286
4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 55226070
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
4-bromo-1-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrrole-2-carboxamide
CID 120654243
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65123856

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide (CID 66005799) is 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NCC1CC(O)C1.
What is the InChIKey of 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide?
The InChIKey is SKJFVQNKGVMKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-2-15-7-9(13)5-11(15)12(17)14-6-8-3-10(16)4-8/h5,7-8,10,16H,2-4,6H2,1H3,(H,14,17).
What are the key properties of 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 66005799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).