2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile

C14H8Cl2F2N2 — CID 107904696

IUPAC2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H8Cl2F2N2/c15-12-4-11(18)5-13(16)14(12)20-7-9-3-10(17)2-1-8(9)6-19/h1-5,20H,7H2
InChIKeyDAOWTFHQMVIIDN-UHFFFAOYSA-N
MW313.13 g/mol
LogP4.76
Rot. Bonds3

About 2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile

2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile (PubChem CID 107904696) has the molecular formula C14H8Cl2F2N2 and a molecular weight of 313.13 g/mol. Its IUPAC name is 2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile
PubChem CID107904696
Molecular FormulaC14H8Cl2F2N2
Molecular Weight313.13 g/mol
Exact Mass312.00
IUPAC Name2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H8Cl2F2N2/c15-12-4-11(18)5-13(16)14(12)20-7-9-3-10(17)2-1-8(9)6-19/h1-5,20H,7H2
InChIKeyDAOWTFHQMVIIDN-UHFFFAOYSA-N
XLogP4.76
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorophenol
CID 107694554
5-[(2,6-dichloro-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 83078187
2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile
CID 103760986
2-[(4-chloro-2-iodoanilino)methyl]-4-fluorobenzonitrile
CID 107904996
2-[(2-bromo-5-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 103761123
4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile
CID 64920275
2-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-fluorobenzonitrile
CID 103760975
2-[(4-bromo-2-methylanilino)methyl]-4-fluorobenzonitrile
CID 103760980
2-[(2,5-dibromoanilino)methyl]-4-fluorobenzonitrile
CID 107904052
4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile
CID 103761094
4-fluoro-2-[(3-fluoro-4-methylanilino)methyl]benzonitrile
CID 103760969
4-fluoro-2-[(2-methoxyanilino)methyl]benzonitrile
CID 103761075

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile (CID 107904696) is 2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1CNc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile?
The InChIKey is DAOWTFHQMVIIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N2/c15-12-4-11(18)5-13(16)14(12)20-7-9-3-10(17)2-1-8(9)6-19/h1-5,20H,7H2.
What are the key properties of 2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile?
2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile has a molecular weight of 313.13 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 107904696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).