N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline

C20H16ClFN2O — CID 169382016

IUPACN-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1cc(Cl)ccc1COc1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C20H16ClFN2O/c21-17-9-8-16(20(22)12-17)14-25-19-10-6-15(7-11-19)13-23-24-18-4-2-1-3-5-18/h1-13,24H,14H2
InChIKeyOODLWBFHUHKANN-UHFFFAOYSA-N
MW354.81 g/mol
LogP5.50
Rot. Bonds6

About N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline

N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 169382016) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID169382016
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC NameN-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1cc(Cl)ccc1COc1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C20H16ClFN2O/c21-17-9-8-16(20(22)12-17)14-25-19-10-6-15(7-11-19)13-23-24-18-4-2-1-3-5-18/h1-13,24H,14H2
InChIKeyOODLWBFHUHKANN-UHFFFAOYSA-N
XLogP5.50
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.81
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840683
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382186
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840847
3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110842484
4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840727
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840793
N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline
CID 169383529

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (CID 169382016) is N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is Fc1cc(Cl)ccc1COc1ccc(C=NNc2ccccc2)cc1.
What is the InChIKey of N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is OODLWBFHUHKANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-17-9-8-16(20(22)12-17)14-25-19-10-6-15(7-11-19)13-23-24-18-4-2-1-3-5-18/h1-13,24H,14H2.
What are the key properties of N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 354.81 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).