2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline

C13H10ClFN2 — CID 3753307

IUPAC2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
SMILESFc1ccccc1C=NNc1ccccc1Cl
InChIInChI=1S/C13H10ClFN2/c14-11-6-2-4-8-13(11)17-16-9-10-5-1-3-7-12(10)15/h1-9,17H
InChIKeyXUMZZOFSGKQHPZ-UHFFFAOYSA-N
MW248.69 g/mol
LogP3.93
Rot. Bonds3

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

2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline (PubChem CID 3753307) has the molecular formula C13H10ClFN2 and a molecular weight of 248.69 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
PubChem CID3753307
Molecular FormulaC13H10ClFN2
Molecular Weight248.69 g/mol
Exact Mass248.05
IUPAC Name2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
SMILESFc1ccccc1C=NNc1ccccc1Cl
InChIInChI=1S/C13H10ClFN2/c14-11-6-2-4-8-13(11)17-16-9-10-5-1-3-7-12(10)15/h1-9,17H
InChIKeyXUMZZOFSGKQHPZ-UHFFFAOYSA-N
XLogP3.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 53.93
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

2-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]aniline
CID 4612061
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4029430
5-chloro-4-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790362
2,3,5,6-tetrafluoro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 4113252
2,3,5,6-tetrafluoro-N-[(Z)-(2-fluorophenyl)methylideneamino]aniline
CID 6013048
N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine
CID 45481082
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-(4-methylphenyl)sulfonylaniline
CID 9461390
2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine
CID 3764445
4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]phenol
CID 4174590
N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
CID 110504963
N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline
CID 19655713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline (CID 3753307) is 2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline is Fc1ccccc1C=NNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline?
The InChIKey is XUMZZOFSGKQHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2/c14-11-6-2-4-8-13(11)17-16-9-10-5-1-3-7-12(10)15/h1-9,17H.
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline?
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline has a molecular weight of 248.69 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 3753307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).