5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride

C18H22BrClN2O3 — CID 119537396

IUPAC5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C18H21BrN2O3.ClH/c19-14-2-1-3-15(10-14)23-12-16-4-5-17(24-16)18(22)21-9-7-13-6-8-20-11-13;/h1-5,10,13,20H,6-9,11-12H2,(H,21,22);1H
InChIKeyBTJQDLZFHQWECP-UHFFFAOYSA-N
MW429.74 g/mol
LogP3.77
Rot. Bonds7

About 5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride

5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride (PubChem CID 119537396) has the molecular formula C18H22BrClN2O3 and a molecular weight of 429.74 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
PubChem CID119537396
Molecular FormulaC18H22BrClN2O3
Molecular Weight429.74 g/mol
Exact Mass428.05
IUPAC Name5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C18H21BrN2O3.ClH/c19-14-2-1-3-15(10-14)23-12-16-4-5-17(24-16)18(22)21-9-7-13-6-8-20-11-13;/h1-5,10,13,20H,6-9,11-12H2,(H,21,22);1H
InChIKeyBTJQDLZFHQWECP-UHFFFAOYSA-N
XLogP3.77
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.74
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide
CID 119533354
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557900
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 120658923
5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide
CID 56559319
N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119616986
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534430
5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 86886568
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201
5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
CID 120557308
N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
CID 119575372
[5-[(3-bromophenoxy)methyl]furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563369

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride (CID 119537396) is 5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1ccc(COc2cccc(Br)c2)o1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is BTJQDLZFHQWECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3.ClH/c19-14-2-1-3-15(10-14)23-12-16-4-5-17(24-16)18(22)21-9-7-13-6-8-20-11-13;/h1-5,10,13,20H,6-9,11-12H2,(H,21,22);1H.
What are the key properties of 5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride?
5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 429.74 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119537396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).