5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide

C10H13BrN2O3 — CID 120943152

IUPAC5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1coc(Br)c1
InChIInChI=1S/C10H13BrN2O3/c11-9-1-6(5-16-9)10(15)13-3-7-2-12-4-8(7)14/h1,5,7-8,12,14H,2-4H2,(H,13,15)
InChIKeyAERIMXOBHPXJKU-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.35
Rot. Bonds3

About 5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide

5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide (PubChem CID 120943152) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide
PubChem CID120943152
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1coc(Br)c1
InChIInChI=1S/C10H13BrN2O3/c11-9-1-6(5-16-9)10(15)13-3-7-2-12-4-8(7)14/h1,5,7-8,12,14H,2-4H2,(H,13,15)
InChIKeyAERIMXOBHPXJKU-UHFFFAOYSA-N
XLogP0.35
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 120944561
3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride
CID 120945311
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 120943158
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 120943236
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
CID 131041505
3-bromo-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120946950
2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944182
4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride
CID 120945283
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide (CID 120943152) is 5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide is O=C(NCC1CNCC1O)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide?
The InChIKey is AERIMXOBHPXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c11-9-1-6(5-16-9)10(15)13-3-7-2-12-4-8(7)14/h1,5,7-8,12,14H,2-4H2,(H,13,15).
What are the key properties of 5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide?
5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide has a molecular weight of 289.13 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 120943152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).