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

C20H16ClFN2O — CID 110840683

IUPAC4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1ccccc1COc1ccc(C=NNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClFN2O/c21-17-7-9-18(10-8-17)24-23-13-15-5-11-19(12-6-15)25-14-16-3-1-2-4-20(16)22/h1-13,24H,14H2
InChIKeyKVPPSTPGARFPEO-UHFFFAOYSA-N
MW354.81 g/mol
LogP5.50
Rot. Bonds6

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

4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 110840683) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID110840683
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1ccccc1COc1ccc(C=NNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClFN2O/c21-17-7-9-18(10-8-17)24-23-13-15-5-11-19(12-6-15)25-14-16-3-1-2-4-20(16)22/h1-13,24H,14H2
InChIKeyKVPPSTPGARFPEO-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

N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382016
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840847
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382186
4-chloro-N-[[4-[(2,5-dimethylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840727
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 94845097
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 71950877
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (CID 110840683) is 4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is Fc1ccccc1COc1ccc(C=NNc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is KVPPSTPGARFPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-17-7-9-18(10-8-17)24-23-13-15-5-11-19(12-6-15)25-14-16-3-1-2-4-20(16)22/h1-13,24H,14H2.
What are the key properties of 4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
4-chloro-N-[[4-[(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 4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 110840683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).