4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile

C14H9Cl2FN2 — CID 114842499

IUPAC4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(Cl)c(NCc2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H9Cl2FN2/c15-11-3-2-10(13(17)6-11)8-19-14-5-9(7-18)1-4-12(14)16/h1-6,19H,8H2
InChIKeyHMZSQPVWCLBIKG-UHFFFAOYSA-N
MW295.14 g/mol
LogP4.62
Rot. Bonds3

About 4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile

4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile (PubChem CID 114842499) has the molecular formula C14H9Cl2FN2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile
PubChem CID114842499
Molecular FormulaC14H9Cl2FN2
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(Cl)c(NCc2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H9Cl2FN2/c15-11-3-2-10(13(17)6-11)8-19-14-5-9(7-18)1-4-12(14)16/h1-6,19H,8H2
InChIKeyHMZSQPVWCLBIKG-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-[(2-chloro-5-methylanilino)methyl]-3-fluorobenzonitrile
CID 103768039
4-[(4-chloro-2-cyanoanilino)methyl]-3-fluorobenzonitrile
CID 63359487
3-chloro-4-[(2-chloro-5-fluoroanilino)methyl]benzonitrile
CID 107528339
3-[(5-bromo-2-chloroanilino)methyl]-4-fluorobenzonitrile
CID 62914878
4-[(4-chloro-2-fluoroanilino)methyl]-3-methylbenzonitrile
CID 114480034
3-[(5-chloro-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 43438478
4-chloro-3-[(2-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106862898
4-[(2,5-dichloroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037451
3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile
CID 102663908
3-chloro-4-[(2-fluoro-5-methylanilino)methyl]benzonitrile
CID 102663988
3-bromo-4-[(2,4-dichlorophenyl)methylamino]benzonitrile
CID 43722738
3-chloro-4-[(5-chloro-2-methylanilino)methyl]benzonitrile
CID 102663740

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile?
The IUPAC name of 4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile (CID 114842499) is 4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile.
What is the SMILES notation for 4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile?
The canonical SMILES for 4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile is N#Cc1ccc(Cl)c(NCc2ccc(Cl)cc2F)c1.
What is the InChIKey of 4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile?
The InChIKey is HMZSQPVWCLBIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2/c15-11-3-2-10(13(17)6-11)8-19-14-5-9(7-18)1-4-12(14)16/h1-6,19H,8H2.
What are the key properties of 4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile?
4-chloro-3-[(4-chloro-2-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-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile is sourced from PubChem (CID 114842499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).