2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile

C14H9Cl2FN2 — CID 65316370

IUPAC2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2FN2/c15-10-4-5-12(16)9(6-10)8-19-14-3-1-2-13(17)11(14)7-18/h1-6,19H,8H2
InChIKeyXUVSHGRWSKMHCB-UHFFFAOYSA-N
MW295.14 g/mol
LogP4.62
Rot. Bonds3

About 2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile

2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile (PubChem CID 65316370) has the molecular formula C14H9Cl2FN2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
PubChem CID65316370
Molecular FormulaC14H9Cl2FN2
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2FN2/c15-10-4-5-12(16)9(6-10)8-19-14-3-1-2-13(17)11(14)7-18/h1-6,19H,8H2
InChIKeyXUVSHGRWSKMHCB-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

2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580666
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580270
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240
3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114421
2-[(4-cyano-2-methylphenyl)methylamino]-6-fluorobenzonitrile
CID 114479886
2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile
CID 62539428
2-[(2,5-dimethoxyphenyl)methylamino]-6-fluorobenzonitrile
CID 31664189
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
2-[(4-bromo-3-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 78982287
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
2-[[(E)-3-chloroprop-2-enyl]amino]-6-fluorobenzonitrile
CID 107899698

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile (CID 65316370) is 2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile is N#Cc1c(F)cccc1NCc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile?
The InChIKey is XUVSHGRWSKMHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2/c15-10-4-5-12(16)9(6-10)8-19-14-3-1-2-13(17)11(14)7-18/h1-6,19H,8H2.
What are the key properties of 2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile?
2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile 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 2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 65316370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).