N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide

C15H17BrN2O2 — CID 107365685

IUPACN-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1ccoc1Br
InChIInChI=1S/C15H17BrN2O2/c16-14-13(7-10-20-14)15(19)18(9-4-8-17)11-12-5-2-1-3-6-12/h1-3,5-7,10H,4,8-9,11,17H2
InChIKeyXJSASXHWDXBMQT-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.03
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide

N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide (PubChem CID 107365685) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
PubChem CID107365685
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1ccoc1Br
InChIInChI=1S/C15H17BrN2O2/c16-14-13(7-10-20-14)15(19)18(9-4-8-17)11-12-5-2-1-3-6-12/h1-3,5-7,10H,4,8-9,11,17H2
InChIKeyXJSASXHWDXBMQT-UHFFFAOYSA-N
XLogP3.03
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide
CID 106853333
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
CID 107365765
N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide
CID 106852447
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide
CID 107365501
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
CID 107366166
N-(3-aminopropyl)-N-benzyl-2-methyl-3-nitrobenzamide
CID 120649508
N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
CID 120648399

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide (CID 107365685) is N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide is NCCCN(Cc1ccccc1)C(=O)c1ccoc1Br.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide?
The InChIKey is XJSASXHWDXBMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-14-13(7-10-20-14)15(19)18(9-4-8-17)11-12-5-2-1-3-6-12/h1-3,5-7,10H,4,8-9,11,17H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide?
N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide is sourced from PubChem (CID 107365685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).