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

C14H10FIN2 — CID 103761094

IUPAC4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile
SMILESN#Cc1ccc(F)cc1CNc1cccc(I)c1
InChIInChI=1S/C14H10FIN2/c15-12-5-4-10(8-17)11(6-12)9-18-14-3-1-2-13(16)7-14/h1-7,18H,9H2
InChIKeyHESJDJMOSWXZLC-UHFFFAOYSA-N
MW352.15 g/mol
LogP3.91
Rot. Bonds3

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

4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile (PubChem CID 103761094) has the molecular formula C14H10FIN2 and a molecular weight of 352.15 g/mol. Its IUPAC name is 4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile
PubChem CID103761094
Molecular FormulaC14H10FIN2
Molecular Weight352.15 g/mol
Exact Mass351.99
IUPAC Name4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile
SMILESN#Cc1ccc(F)cc1CNc1cccc(I)c1
InChIInChI=1S/C14H10FIN2/c15-12-5-4-10(8-17)11(6-12)9-18-14-3-1-2-13(16)7-14/h1-7,18H,9H2
InChIKeyHESJDJMOSWXZLC-UHFFFAOYSA-N
XLogP3.91
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.15
LogP ≤ 53.91
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

N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
CID 63421874
4-fluoro-2-[(3-fluoro-4-methylanilino)methyl]benzonitrile
CID 103760969
4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile
CID 114014305
2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile
CID 103760986
N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
N-[(2-fluorophenyl)methyl]-3-iodoaniline
CID 28879188
2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile
CID 135144381
2-[(4-chloro-2-iodoanilino)methyl]-4-fluorobenzonitrile
CID 107904996
2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107904696
2-[(2-bromo-5-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 103761123
4-fluoro-2-[(2-methoxyanilino)methyl]benzonitrile
CID 103761075
2-fluoro-4-(3-iodoanilino)benzonitrile
CID 113295528

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile (CID 103761094) is 4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile is N#Cc1ccc(F)cc1CNc1cccc(I)c1.
What is the InChIKey of 4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile?
The InChIKey is HESJDJMOSWXZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2/c15-12-5-4-10(8-17)11(6-12)9-18-14-3-1-2-13(16)7-14/h1-7,18H,9H2.
What are the key properties of 4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile?
4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile has a molecular weight of 352.15 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile is sourced from PubChem (CID 103761094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).