N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline

C20H16F2N2O — CID 2349046

IUPACN-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline
SMILESCOc1ccccc1Nc1ccc(/N=C/c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H16F2N2O/c1-25-20-5-3-2-4-19(20)24-16-9-7-15(8-10-16)23-13-14-6-11-17(21)18(22)12-14/h2-13,24H,1H3/b23-13+
InChIKeyZMZIFCMRXYTPPE-YDZHTSKRSA-N
MW338.36 g/mol
LogP5.47
Rot. Bonds5

About N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline

N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline (PubChem CID 2349046) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline
PubChem CID2349046
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC NameN-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline
SMILESCOc1ccccc1Nc1ccc(/N=C/c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H16F2N2O/c1-25-20-5-3-2-4-19(20)24-16-9-7-15(8-10-16)23-13-14-6-11-17(21)18(22)12-14/h2-13,24H,1H3/b23-13+
InChIKeyZMZIFCMRXYTPPE-YDZHTSKRSA-N
XLogP5.47
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline?
The IUPAC name of N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline (CID 2349046) is N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline.
What is the SMILES notation for N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline?
The canonical SMILES for N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline is COc1ccccc1Nc1ccc(/N=C/c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline?
The InChIKey is ZMZIFCMRXYTPPE-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H16F2N2O/c1-25-20-5-3-2-4-19(20)24-16-9-7-15(8-10-16)23-13-14-6-11-17(21)18(22)12-14/h2-13,24H,1H3/b23-13+.
What are the key properties of N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline?
N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline has a molecular weight of 338.36 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-difluorophenyl)methylideneamino]phenyl]-2-methoxyaniline is sourced from PubChem (CID 2349046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).