3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline

C13H9Cl2FN2 — CID 3622419

IUPAC3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline
SMILESFc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H9Cl2FN2/c14-12-5-4-11(7-13(12)15)18-17-8-9-2-1-3-10(16)6-9/h1-8,18H
InChIKeyGPAHTUDVCYTYMC-UHFFFAOYSA-N
MW283.13 g/mol
LogP4.58
Rot. Bonds3

About 3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline

3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline (PubChem CID 3622419) has the molecular formula C13H9Cl2FN2 and a molecular weight of 283.13 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline
PubChem CID3622419
Molecular FormulaC13H9Cl2FN2
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline
SMILESFc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H9Cl2FN2/c14-12-5-4-11(7-13(12)15)18-17-8-9-2-1-3-10(16)6-9/h1-8,18H
InChIKeyGPAHTUDVCYTYMC-UHFFFAOYSA-N
XLogP4.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
N-[(3-fluorophenyl)methylideneamino]-5-phenylpyrimidin-2-amine
CID 3107053
3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline
CID 4545818
3,4-dichloro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline
CID 6146065
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride
CID 73242933
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
CID 5195808
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-4-amine
CID 45481342

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline?
The IUPAC name of 3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline (CID 3622419) is 3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline?
The canonical SMILES for 3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline is Fc1cccc(C=NNc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline?
The InChIKey is GPAHTUDVCYTYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2/c14-12-5-4-11(7-13(12)15)18-17-8-9-2-1-3-10(16)6-9/h1-8,18H.
What are the key properties of 3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline?
3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline has a molecular weight of 283.13 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 3622419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).