2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide

C17H17BrN2O4 — CID 91958966

IUPAC2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)N(CCO)Cc2ccco2)cc2oc(Br)cc21
InChIInChI=1S/C17H17BrN2O4/c1-2-5-20-13-10-16(18)24-15(13)9-14(20)17(22)19(6-7-21)11-12-4-3-8-23-12/h2-4,8-10,21H,1,5-7,11H2
InChIKeyRVYYHQISIIDINB-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.41
Rot. Bonds7

About 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide

2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 91958966) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID91958966
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)N(CCO)Cc2ccco2)cc2oc(Br)cc21
InChIInChI=1S/C17H17BrN2O4/c1-2-5-20-13-10-16(18)24-15(13)9-14(20)17(22)19(6-7-21)11-12-4-3-8-23-12/h2-4,8-10,21H,1,5-7,11H2
InChIKeyRVYYHQISIIDINB-UHFFFAOYSA-N
XLogP3.41
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 91958228
2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959003
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
4-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-1-methylpyrrole-2-carboxamide
CID 60701981
N-[2-[2-hydroxyethyl(prop-2-enyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 115775719
N,1-bis(furan-2-ylmethyl)-N-prop-2-enylpiperidine-4-carboxamide
CID 50974230
2,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 114371715
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 50978093
1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 27718189
4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 46111541
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide (CID 91958966) is 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide is C=CCn1c(C(=O)N(CCO)Cc2ccco2)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is RVYYHQISIIDINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-2-5-20-13-10-16(18)24-15(13)9-14(20)17(22)19(6-7-21)11-12-4-3-8-23-12/h2-4,8-10,21H,1,5-7,11H2.
What are the key properties of 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91958966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).