3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline

C14H12ClFN2O — CID 8972803

IUPAC3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N\Nc2cccc(Cl)c2)cc1F
InChIInChI=1S/C14H12ClFN2O/c1-19-14-6-5-10(7-13(14)16)9-17-18-12-4-2-3-11(15)8-12/h2-9,18H,1H3/b17-9-
InChIKeyVMHQJGDETHDBME-MFOYZWKCSA-N
MW278.71 g/mol
LogP3.93
Rot. Bonds4

About 3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline

3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline (PubChem CID 8972803) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
PubChem CID8972803
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N\Nc2cccc(Cl)c2)cc1F
InChIInChI=1S/C14H12ClFN2O/c1-19-14-6-5-10(7-13(14)16)9-17-18-12-4-2-3-11(15)8-12/h2-9,18H,1H3/b17-9-
InChIKeyVMHQJGDETHDBME-MFOYZWKCSA-N
XLogP3.93
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.93
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

3-chloro-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840215
N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
CID 82536944
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135730470
4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9015386
N-(3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 7232445
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135576630
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135593942
4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 4965646
4-chloro-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506176
2-methoxy-5-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 110841513

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline (CID 8972803) is 3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline is COc1ccc(/C=N\Nc2cccc(Cl)c2)cc1F.
What is the InChIKey of 3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline?
The InChIKey is VMHQJGDETHDBME-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-19-14-6-5-10(7-13(14)16)9-17-18-12-4-2-3-11(15)8-12/h2-9,18H,1H3/b17-9-.
What are the key properties of 3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline?
3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline has a molecular weight of 278.71 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 8972803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).