5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide

C13H10BrN3O2 — CID 107798298

IUPAC5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(CN)o1
InChIInChI=1S/C13H10BrN3O2/c14-9-2-1-8(6-15)11(5-9)17-13(18)12-4-3-10(7-16)19-12/h1-5H,7,16H2,(H,17,18)
InChIKeyRJCYBJKZVLHTGI-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.62
Rot. Bonds3

About 5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide

5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide (PubChem CID 107798298) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide
PubChem CID107798298
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC Name5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(CN)o1
InChIInChI=1S/C13H10BrN3O2/c14-9-2-1-8(6-15)11(5-9)17-13(18)12-4-3-10(7-16)19-12/h1-5H,7,16H2,(H,17,18)
InChIKeyRJCYBJKZVLHTGI-UHFFFAOYSA-N
XLogP2.62
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
CID 107796954
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
1-(aminomethyl)-N-(5-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 107798245
5-(3-aminoprop-1-ynyl)-N-(5-bromo-2-cyanophenyl)thiophene-3-carboxamide
CID 107800449
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
CID 104880239
3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
CID 107798264
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide (CID 107798298) is 5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide is N#Cc1ccc(Br)cc1NC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide?
The InChIKey is RJCYBJKZVLHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-9-2-1-8(6-15)11(5-9)17-13(18)12-4-3-10(7-16)19-12/h1-5H,7,16H2,(H,17,18).
What are the key properties of 5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide?
5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide has a molecular weight of 320.15 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5-bromo-2-cyanophenyl)furan-2-carboxamide is sourced from PubChem (CID 107798298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).