3-bromo-N-[cyano(furan-2-yl)methyl]benzamide

C13H9BrN2O2 — CID 82124792

IUPAC3-bromo-N-[cyano(furan-2-yl)methyl]benzamide
SMILESN#CC(NC(=O)c1cccc(Br)c1)c1ccco1
InChIInChI=1S/C13H9BrN2O2/c14-10-4-1-3-9(7-10)13(17)16-11(8-15)12-5-2-6-18-12/h1-7,11H,(H,16,17)
InChIKeyIVNWRSYZQOKQLQ-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.04
Rot. Bonds3

About 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide

3-bromo-N-[cyano(furan-2-yl)methyl]benzamide (PubChem CID 82124792) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[cyano(furan-2-yl)methyl]benzamide
PubChem CID82124792
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name3-bromo-N-[cyano(furan-2-yl)methyl]benzamide
SMILESN#CC(NC(=O)c1cccc(Br)c1)c1ccco1
InChIInChI=1S/C13H9BrN2O2/c14-10-4-1-3-9(7-10)13(17)16-11(8-15)12-5-2-6-18-12/h1-7,11H,(H,16,17)
InChIKeyIVNWRSYZQOKQLQ-UHFFFAOYSA-N
XLogP3.04
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyano(furan-2-yl)methyl]-4-methylbenzamide
CID 13075830
3-bromo-N-[cyano(ethylsulfanyl)methyl]benzamide
CID 86160996
N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide
CID 13075793
ethyl 2-[(3-bromobenzoyl)amino]-2-cyanoacetate
CID 122508467
N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 14624271
3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
CID 3434311
N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide
CID 4620798
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
3-bromo-N-[4-[2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-oxoethyl]phenyl]benzamide
CID 78897431
3-bromo-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide
CID 42545857
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
(2S)-2-[(3-bromobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143086

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide (CID 82124792) is 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide is N#CC(NC(=O)c1cccc(Br)c1)c1ccco1.
What is the InChIKey of 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide?
The InChIKey is IVNWRSYZQOKQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-10-4-1-3-9(7-10)13(17)16-11(8-15)12-5-2-6-18-12/h1-7,11H,(H,16,17).
What are the key properties of 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide?
3-bromo-N-[cyano(furan-2-yl)methyl]benzamide has a molecular weight of 305.13 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[cyano(furan-2-yl)methyl]benzamide is sourced from PubChem (CID 82124792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).