4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile

C15H12ClFN2O — CID 103292573

IUPAC4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile
SMILESCOc1cccc(Cl)c1CNc1ccc(C#N)c(F)c1
InChIInChI=1S/C15H12ClFN2O/c1-20-15-4-2-3-13(16)12(15)9-19-11-6-5-10(8-18)14(17)7-11/h2-7,19H,9H2,1H3
InChIKeyDZGGZYCHTNMZRL-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.97
Rot. Bonds4

About 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile

4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile (PubChem CID 103292573) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile
PubChem CID103292573
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile
SMILESCOc1cccc(Cl)c1CNc1ccc(C#N)c(F)c1
InChIInChI=1S/C15H12ClFN2O/c1-20-15-4-2-3-13(16)12(15)9-19-11-6-5-10(8-18)14(17)7-11/h2-7,19H,9H2,1H3
InChIKeyDZGGZYCHTNMZRL-UHFFFAOYSA-N
XLogP3.97
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
CID 104816016
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292568
5-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-2-fluorobenzonitrile
CID 107880592
2-[(2-chloro-6-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107927942
2-fluoro-4-[(3-methoxyphenyl)methylamino]benzonitrile
CID 115367213
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
methyl 3-[(2-chloro-6-methoxyphenyl)methylamino]benzoate
CID 115884786
2-[(2-chloro-6-methoxyphenyl)methylamino]-5-nitrobenzonitrile
CID 133475329

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile?
The IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile (CID 103292573) is 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile is COc1cccc(Cl)c1CNc1ccc(C#N)c(F)c1.
What is the InChIKey of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile?
The InChIKey is DZGGZYCHTNMZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-20-15-4-2-3-13(16)12(15)9-19-11-6-5-10(8-18)14(17)7-11/h2-7,19H,9H2,1H3.
What are the key properties of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile?
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile has a molecular weight of 290.73 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile is sourced from PubChem (CID 103292573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).