N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide

C15H17BrN2O2 — CID 107365854

IUPACN-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H17BrN2O2/c16-14-8-7-13(20-14)15(19)18(10-4-9-17)11-12-5-2-1-3-6-12/h1-3,5-8H,4,9-11,17H2
InChIKeyUWDGHSVWBXOGOW-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.03
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide

N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide (PubChem CID 107365854) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
PubChem CID107365854
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H17BrN2O2/c16-14-8-7-13(20-14)15(19)18(10-4-9-17)11-12-5-2-1-3-6-12/h1-3,5-8H,4,9-11,17H2
InChIKeyUWDGHSVWBXOGOW-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,N-dibenzyl-5-bromofuran-2-carboxamide
CID 1042531
N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide
CID 120649558
N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
CID 107365685
N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
CID 107365765
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
5-bromo-N,N-dibutylfuran-2-carboxamide
CID 3627667
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-3-hydroxypyridine-2-carboxamide
CID 107366166
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide (CID 107365854) is N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide is NCCCN(Cc1ccccc1)C(=O)c1ccc(Br)o1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide?
The InChIKey is UWDGHSVWBXOGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-14-8-7-13(20-14)15(19)18(10-4-9-17)11-12-5-2-1-3-6-12/h1-3,5-8H,4,9-11,17H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide?
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-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-5-bromofuran-2-carboxamide is sourced from PubChem (CID 107365854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).