5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile

C14H11F2N3 — CID 103590292

IUPAC5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile
SMILESCc1cc(Nc2ccc(F)c(C#N)c2)c(N)cc1F
InChIInChI=1S/C14H11F2N3/c1-8-4-14(13(18)6-12(8)16)19-10-2-3-11(15)9(5-10)7-17/h2-6,19H,18H2,1H3
InChIKeyLUNPNSSMEZLZGX-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.47
Rot. Bonds2

About 5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile

5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile (PubChem CID 103590292) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile
PubChem CID103590292
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile
SMILESCc1cc(Nc2ccc(F)c(C#N)c2)c(N)cc1F
InChIInChI=1S/C14H11F2N3/c1-8-4-14(13(18)6-12(8)16)19-10-2-3-11(15)9(5-10)7-17/h2-6,19H,18H2,1H3
InChIKeyLUNPNSSMEZLZGX-UHFFFAOYSA-N
XLogP3.47
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(2-amino-4-fluoro-5-methylanilino)-2-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-(2-amino-4-fluoroanilino)-2-fluorobenzonitrile
CID 62318209
1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590102
5-(3-amino-5-methylanilino)-2-fluorobenzonitrile
CID 112647670
1-N-(3,5-dichlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589866
5-(4-bromo-2-cyanoanilino)-2-fluorobenzonitrile
CID 114890634
4-(2-amino-4-chloro-5-fluoroanilino)benzene-1,2-dicarbonitrile
CID 107787128
1-N-[4-(diethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590376
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
CID 62492574
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248
1-N-(3-chloro-4-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589840
1-N-(4-bromo-3,5-dimethylphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 107571396
1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile?
The IUPAC name of 5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile (CID 103590292) is 5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile?
The canonical SMILES for 5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile is Cc1cc(Nc2ccc(F)c(C#N)c2)c(N)cc1F.
What is the InChIKey of 5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile?
The InChIKey is LUNPNSSMEZLZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-8-4-14(13(18)6-12(8)16)19-10-2-3-11(15)9(5-10)7-17/h2-6,19H,18H2,1H3.
What are the key properties of 5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile?
5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile has a molecular weight of 259.26 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-fluoro-5-methylanilino)-2-fluorobenzonitrile is sourced from PubChem (CID 103590292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).