5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride

C17H19BrClN3O3 — CID 119550751

IUPAC5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)C1CCNC1.Cl
InChIInChI=1S/C17H18BrN3O3.ClH/c1-21(13-7-8-19-10-13)17(23)11-3-2-4-12(9-11)20-16(22)14-5-6-15(18)24-14;/h2-6,9,13,19H,7-8,10H2,1H3,(H,20,22);1H
InChIKeyAOXBZVGANWVSOK-UHFFFAOYSA-N
MW428.71 g/mol
LogP3.15
Rot. Bonds4

About 5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride

5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119550751) has the molecular formula C17H19BrClN3O3 and a molecular weight of 428.71 g/mol. Its IUPAC name is 5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119550751
Molecular FormulaC17H19BrClN3O3
Molecular Weight428.71 g/mol
Exact Mass427.03
IUPAC Name5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)C1CCNC1.Cl
InChIInChI=1S/C17H18BrN3O3.ClH/c1-21(13-7-8-19-10-13)17(23)11-3-2-4-12(9-11)20-16(22)14-5-6-15(18)24-14;/h2-6,9,13,19H,7-8,10H2,1H3,(H,20,22);1H
InChIKeyAOXBZVGANWVSOK-UHFFFAOYSA-N
XLogP3.15
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.71
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 119553932
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CID 60805996
5-bromo-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 43602151
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552441
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride (CID 119550751) is 5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride is CN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)C1CCNC1.Cl.
What is the InChIKey of 5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is AOXBZVGANWVSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3.ClH/c1-21(13-7-8-19-10-13)17(23)11-3-2-4-12(9-11)20-16(22)14-5-6-15(18)24-14;/h2-6,9,13,19H,7-8,10H2,1H3,(H,20,22);1H.
What are the key properties of 5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 428.71 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119550751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).