N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride

C9H14BrClN2O2 — CID 119497771

IUPACN-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1occc1Br.Cl
InChIInChI=1S/C9H13BrN2O2.ClH/c1-6(11)2-4-12-9(13)8-7(10)3-5-14-8;/h3,5-6H,2,4,11H2,1H3,(H,12,13);1H
InChIKeyCSWLMBFXUZTIHT-UHFFFAOYSA-N
MW297.58 g/mol
LogP1.93
Rot. Bonds4

About N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride

N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride (PubChem CID 119497771) has the molecular formula C9H14BrClN2O2 and a molecular weight of 297.58 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride
PubChem CID119497771
Molecular FormulaC9H14BrClN2O2
Molecular Weight297.58 g/mol
Exact Mass295.99
IUPAC NameN-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1occc1Br.Cl
InChIInChI=1S/C9H13BrN2O2.ClH/c1-6(11)2-4-12-9(13)8-7(10)3-5-14-8;/h3,5-6H,2,4,11H2,1H3,(H,12,13);1H
InChIKeyCSWLMBFXUZTIHT-UHFFFAOYSA-N
XLogP1.93
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428
N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide
CID 130634636
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
8-[(3-bromofuran-2-carbonyl)amino]octanoic acid
CID 120535676
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
3-bromo-N-[2-(2-methylphenoxy)propyl]furan-2-carboxamide
CID 122148813
N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119499601
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
CID 119498074
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride (CID 119497771) is N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride is CC(N)CCNC(=O)c1occc1Br.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride?
The InChIKey is CSWLMBFXUZTIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2.ClH/c1-6(11)2-4-12-9(13)8-7(10)3-5-14-8;/h3,5-6H,2,4,11H2,1H3,(H,12,13);1H.
What are the key properties of N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride?
N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride has a molecular weight of 297.58 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119497771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).