4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile

C14H9F2IN2 — CID 79768926

IUPAC4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile
SMILESN#Cc1ccc(F)c(CNc2ccc(F)cc2I)c1
InChIInChI=1S/C14H9F2IN2/c15-11-2-4-14(13(17)6-11)19-8-10-5-9(7-18)1-3-12(10)16/h1-6,19H,8H2
InChIKeyIDGLEVWLXANLIL-UHFFFAOYSA-N
MW370.14 g/mol
LogP4.05
Rot. Bonds3

About 4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile

4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile (PubChem CID 79768926) has the molecular formula C14H9F2IN2 and a molecular weight of 370.14 g/mol. Its IUPAC name is 4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile
PubChem CID79768926
Molecular FormulaC14H9F2IN2
Molecular Weight370.14 g/mol
Exact Mass369.98
IUPAC Name4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile
SMILESN#Cc1ccc(F)c(CNc2ccc(F)cc2I)c1
InChIInChI=1S/C14H9F2IN2/c15-11-2-4-14(13(17)6-11)19-8-10-5-9(7-18)1-3-12(10)16/h1-6,19H,8H2
InChIKeyIDGLEVWLXANLIL-UHFFFAOYSA-N
XLogP4.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.14
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[(4-fluoro-2-iodoanilino)methyl]benzonitrile
CID 79769186
3-[(2-cyano-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 79034004
4-amino-3-[(2,5-difluorophenyl)methylamino]benzonitrile
CID 104711979
3-[(5-chloro-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 43438478
2-[(4-chloro-2-iodoanilino)methyl]-4-fluorobenzonitrile
CID 107904996
4-fluoro-3-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]benzonitrile
CID 133368259
2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580666
3-[(5-bromo-2-chloroanilino)methyl]-4-fluorobenzonitrile
CID 62914878
3-[(5-bromo-2-methylanilino)methyl]-4-fluorobenzonitrile
CID 43806136
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
4-fluoro-3-[(2,4,6-tribromoanilino)methyl]benzonitrile
CID 28992070

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile?
The IUPAC name of 4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile (CID 79768926) is 4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile is N#Cc1ccc(F)c(CNc2ccc(F)cc2I)c1.
What is the InChIKey of 4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile?
The InChIKey is IDGLEVWLXANLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2IN2/c15-11-2-4-14(13(17)6-11)19-8-10-5-9(7-18)1-3-12(10)16/h1-6,19H,8H2.
What are the key properties of 4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile?
4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile has a molecular weight of 370.14 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile is sourced from PubChem (CID 79768926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).