4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile

C14H9Cl2FN2 — CID 64920275

IUPAC4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCc1ccc(F)cc1Cl
InChIInChI=1S/C14H9Cl2FN2/c15-11-3-1-9(7-18)14(5-11)19-8-10-2-4-12(17)6-13(10)16/h1-6,19H,8H2
InChIKeyIIKCVMZFMIHZDI-UHFFFAOYSA-N
MW295.14 g/mol
LogP4.62
Rot. Bonds3

About 4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile

4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile (PubChem CID 64920275) has the molecular formula C14H9Cl2FN2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile
PubChem CID64920275
Molecular FormulaC14H9Cl2FN2
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCc1ccc(F)cc1Cl
InChIInChI=1S/C14H9Cl2FN2/c15-11-3-1-9(7-18)14(5-11)19-8-10-2-4-12(17)6-13(10)16/h1-6,19H,8H2
InChIKeyIIKCVMZFMIHZDI-UHFFFAOYSA-N
XLogP4.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(2,4-dihydroxyphenyl)methylamino]benzonitrile
CID 43681566
2-[(4-chloro-2-iodoanilino)methyl]-4-fluorobenzonitrile
CID 107904996
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile
CID 103760986
3-chloro-4-[(2-chloro-5-fluoroanilino)methyl]benzonitrile
CID 107528339
4-chloro-2-[(5-fluoro-3-pyridinyl)methylamino]benzonitrile
CID 114084238
2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107904696
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
4-chloro-2-[(2,3-dihydroxyphenyl)methylamino]benzonitrile
CID 61319496
4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
CID 61036659
2-[(2,5-difluorophenyl)methylamino]-4-methoxybenzonitrile
CID 81306790

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile?
The IUPAC name of 4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile (CID 64920275) is 4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile?
The canonical SMILES for 4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile is N#Cc1ccc(Cl)cc1NCc1ccc(F)cc1Cl.
What is the InChIKey of 4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile?
The InChIKey is IIKCVMZFMIHZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2/c15-11-3-1-9(7-18)14(5-11)19-8-10-2-4-12(17)6-13(10)16/h1-6,19H,8H2.
What are the key properties of 4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile?
4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile has a molecular weight of 295.14 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile is sourced from PubChem (CID 64920275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).