2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile

C14H13FN2O — CID 82015552

IUPAC2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile
SMILESCCc1ccc(CNc2ccc(F)cc2C#N)o1
InChIInChI=1S/C14H13FN2O/c1-2-12-4-5-13(18-12)9-17-14-6-3-11(15)7-10(14)8-16/h3-7,17H,2,9H2,1H3
InChIKeyZKUXTAYNIBPJTI-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.46
Rot. Bonds4

About 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile

2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile (PubChem CID 82015552) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile
PubChem CID82015552
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile
SMILESCCc1ccc(CNc2ccc(F)cc2C#N)o1
InChIInChI=1S/C14H13FN2O/c1-2-12-4-5-13(18-12)9-17-14-6-3-11(15)7-10(14)8-16/h3-7,17H,2,9H2,1H3
InChIKeyZKUXTAYNIBPJTI-UHFFFAOYSA-N
XLogP3.46
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile 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-bromo-2-[(5-ethylfuran-2-yl)methylamino]benzonitrile
CID 82708078
5-fluoro-2-[(3,4,5-trifluorophenyl)methylamino]benzonitrile
CID 82014691
5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 82015763
2-[(3-ethyl-2-hydroxypentyl)amino]-5-fluorobenzonitrile
CID 113243820
2-[(2,5-dimethylphenyl)methylamino]-5-fluorobenzonitrile
CID 82016482
2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79033707
2-[2-[butan-2-yl(methyl)amino]ethylamino]-5-fluorobenzonitrile
CID 114132699
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-5-fluorobenzonitrile
CID 82016193
3-[(2-cyano-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 79034004
2-[[4-(2-aminoethyl)phenyl]methylamino]-5-fluorobenzonitrile
CID 63674991
5-fluoro-2-(2-methylpentylamino)benzonitrile
CID 82014031

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile (CID 82015552) is 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile is CCc1ccc(CNc2ccc(F)cc2C#N)o1.
What is the InChIKey of 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile?
The InChIKey is ZKUXTAYNIBPJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-2-12-4-5-13(18-12)9-17-14-6-3-11(15)7-10(14)8-16/h3-7,17H,2,9H2,1H3.
What are the key properties of 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile?
2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile has a molecular weight of 244.27 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylfuran-2-yl)methylamino]-5-fluorobenzonitrile is sourced from PubChem (CID 82015552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).