5-[(4-bromoanilino)methyl]furan-2-carbonitrile

C12H9BrN2O — CID 115909240

IUPAC5-[(4-bromoanilino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2ccc(Br)cc2)o1
InChIInChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)15-8-12-6-5-11(7-14)16-12/h1-6,15H,8H2
InChIKeyBYFNIKVNVLZSCF-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.53
Rot. Bonds3

About 5-[(4-bromoanilino)methyl]furan-2-carbonitrile

5-[(4-bromoanilino)methyl]furan-2-carbonitrile (PubChem CID 115909240) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 5-[(4-bromoanilino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-bromoanilino)methyl]furan-2-carbonitrile
PubChem CID115909240
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name5-[(4-bromoanilino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2ccc(Br)cc2)o1
InChIInChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)15-8-12-6-5-11(7-14)16-12/h1-6,15H,8H2
InChIKeyBYFNIKVNVLZSCF-UHFFFAOYSA-N
XLogP3.53
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-bromoanilino)methyl]furan-2-carbonitrile 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

5-[(4-bromo-2-methylanilino)methyl]furan-2-carbonitrile
CID 115909551
5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
CID 115692616
5-[(4-chloro-3-fluoroanilino)methyl]furan-2-carbonitrile
CID 113481534
5-[(3-chloro-4-hydroxyanilino)methyl]furan-2-carbonitrile
CID 107678453
5-[(1,3-benzothiazol-6-ylamino)methyl]furan-2-carbonitrile
CID 103818814
5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743586
N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115652546
5-[(3,4-diethoxyanilino)methyl]furan-2-carbonitrile
CID 115671135
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
5-[(2-bromo-3-chloroanilino)methyl]furan-2-carbonitrile
CID 103478709
5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile
CID 115748697
5-[(3-fluoro-4-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
CID 115743234

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromoanilino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(4-bromoanilino)methyl]furan-2-carbonitrile (CID 115909240) is 5-[(4-bromoanilino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(4-bromoanilino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(4-bromoanilino)methyl]furan-2-carbonitrile is N#Cc1ccc(CNc2ccc(Br)cc2)o1.
What is the InChIKey of 5-[(4-bromoanilino)methyl]furan-2-carbonitrile?
The InChIKey is BYFNIKVNVLZSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)15-8-12-6-5-11(7-14)16-12/h1-6,15H,8H2.
What are the key properties of 5-[(4-bromoanilino)methyl]furan-2-carbonitrile?
5-[(4-bromoanilino)methyl]furan-2-carbonitrile has a molecular weight of 277.12 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromoanilino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115909240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).