2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide

C17H22BrN3O3 — CID 91959024

IUPAC2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)NCCCN2CCOCC2)cc2oc(Br)cc21
InChIInChI=1S/C17H22BrN3O3/c1-2-5-21-13-12-16(18)24-15(13)11-14(21)17(22)19-4-3-6-20-7-9-23-10-8-20/h2,11-12H,1,3-10H2,(H,19,22)
InChIKeyJHAYDAKLXIMSET-UHFFFAOYSA-N
MW396.29 g/mol
LogP2.63
Rot. Bonds7

About 2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide

2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 91959024) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID91959024
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Name2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)NCCCN2CCOCC2)cc2oc(Br)cc21
InChIInChI=1S/C17H22BrN3O3/c1-2-5-21-13-12-16(18)24-15(13)11-14(21)17(22)19-4-3-6-20-7-9-23-10-8-20/h2,11-12H,1,3-10H2,(H,19,22)
InChIKeyJHAYDAKLXIMSET-UHFFFAOYSA-N
XLogP2.63
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958895
2-methyl-N-(2-morpholin-4-ylethyl)-4-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848667
4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791595
4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641464
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
2-bromo-N-(5-methyl-2-propylpyrazol-3-yl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958944
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 86915188
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-prop-2-enylpyrrole-2-carboxamide
CID 42789533
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide (CID 91959024) is 2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide is C=CCn1c(C(=O)NCCCN2CCOCC2)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is JHAYDAKLXIMSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c1-2-5-21-13-12-16(18)24-15(13)11-14(21)17(22)19-4-3-6-20-7-9-23-10-8-20/h2,11-12H,1,3-10H2,(H,19,22).
What are the key properties of 2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91959024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).