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

C20H16ClFN2O — CID 169382696

IUPACN-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1ccc(COc2ccccc2C=NNc2ccccc2)c(Cl)c1
InChIInChI=1S/C20H16ClFN2O/c21-19-12-17(22)11-10-16(19)14-25-20-9-5-4-6-15(20)13-23-24-18-7-2-1-3-8-18/h1-13,24H,14H2
InChIKeyUPKYHJWOFRMXTF-UHFFFAOYSA-N
MW354.81 g/mol
LogP5.50
Rot. Bonds6

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

N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 169382696) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID169382696
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC NameN-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESFc1ccc(COc2ccccc2C=NNc2ccccc2)c(Cl)c1
InChIInChI=1S/C20H16ClFN2O/c21-19-12-17(22)11-10-16(19)14-25-20-9-5-4-6-15(20)13-23-24-18-7-2-1-3-8-18/h1-13,24H,14H2
InChIKeyUPKYHJWOFRMXTF-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-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840868
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579175
N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382695
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
CID 96881846
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
N-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840677
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383060
N-[[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]methylideneamino]aniline
CID 169382106
N-[[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578771

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline (CID 169382696) is N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is Fc1ccc(COc2ccccc2C=NNc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is UPKYHJWOFRMXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-19-12-17(22)11-10-16(19)14-25-20-9-5-4-6-15(20)13-23-24-18-7-2-1-3-8-18/h1-13,24H,14H2.
What are the key properties of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline?
N-[[2-[(2-chloro-4-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-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).