4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide

C12H13BrN2O3 — CID 75381546

IUPAC4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCC(O)c1ccco1
InChIInChI=1S/C12H13BrN2O3/c1-15-7-8(13)5-9(15)12(17)14-6-10(16)11-3-2-4-18-11/h2-5,7,10,16H,6H2,1H3,(H,14,17)
InChIKeyGKJVXMURGKTRRB-UHFFFAOYSA-N
MW313.15 g/mol
LogP1.84
Rot. Bonds4

About 4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 75381546) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
PubChem CID75381546
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCC(O)c1ccco1
InChIInChI=1S/C12H13BrN2O3/c1-15-7-8(13)5-9(15)12(17)14-6-10(16)11-3-2-4-18-11/h2-5,7,10,16H,6H2,1H3,(H,14,17)
InChIKeyGKJVXMURGKTRRB-UHFFFAOYSA-N
XLogP1.84
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 78870041
4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 63294689
5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 110889015
4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063480
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 110912943
4-bromo-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylpyrrole-2-carboxamide
CID 97228400
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889052
4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide
CID 71986188

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide (CID 75381546) is 4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NCC(O)c1ccco1.
What is the InChIKey of 4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is GKJVXMURGKTRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c1-15-7-8(13)5-9(15)12(17)14-6-10(16)11-3-2-4-18-11/h2-5,7,10,16H,6H2,1H3,(H,14,17).
What are the key properties of 4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 313.15 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 75381546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).