2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline

C20H14F4N2O — CID 4643919

IUPAC2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline
SMILESFc1cc(F)c(F)c(NN=Cc2cccc(OCc3ccccc3)c2)c1F
InChIInChI=1S/C20H14F4N2O/c21-16-10-17(22)19(24)20(18(16)23)26-25-11-14-7-4-8-15(9-14)27-12-13-5-2-1-3-6-13/h1-11,26H,12H2
InChIKeyRONLGFQJGMCNQZ-UHFFFAOYSA-N
MW374.34 g/mol
LogP5.27
Rot. Bonds6

About 2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline

2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline (PubChem CID 4643919) has the molecular formula C20H14F4N2O and a molecular weight of 374.34 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline
PubChem CID4643919
Molecular FormulaC20H14F4N2O
Molecular Weight374.34 g/mol
Exact Mass374.10
IUPAC Name2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline
SMILESFc1cc(F)c(F)c(NN=Cc2cccc(OCc3ccccc3)c2)c1F
InChIInChI=1S/C20H14F4N2O/c21-16-10-17(22)19(24)20(18(16)23)26-25-11-14-7-4-8-15(9-14)27-12-13-5-2-1-3-6-13/h1-11,26H,12H2
InChIKeyRONLGFQJGMCNQZ-UHFFFAOYSA-N
XLogP5.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.34
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
CID 110842530
1-methyl-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7728948
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
2,3,5,6-tetrafluoro-N-[(4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 5004757
2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 6313295
2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
CID 6132295
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
1-benzyl-3-[(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 1348293

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline (CID 4643919) is 2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline is Fc1cc(F)c(F)c(NN=Cc2cccc(OCc3ccccc3)c2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline?
The InChIKey is RONLGFQJGMCNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O/c21-16-10-17(22)19(24)20(18(16)23)26-25-11-14-7-4-8-15(9-14)27-12-13-5-2-1-3-6-13/h1-11,26H,12H2.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline?
2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline has a molecular weight of 374.34 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 4643919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).