N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride

C9H8Cl2FN — CID 20718127

IUPACN-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride
SMILESC/C(Cl)=N\c1cc(C)c(Cl)cc1F
InChIInChI=1S/C9H8Cl2FN/c1-5-3-9(13-6(2)10)8(12)4-7(5)11/h3-4H,1-2H3/b13-6+
InChIKeySVAMZLILDIWKFD-AWNIVKPZSA-N
MW220.07 g/mol
LogP4.08
Rot. Bonds1

About N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride

N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride (PubChem CID 20718127) has the molecular formula C9H8Cl2FN and a molecular weight of 220.07 g/mol. Its IUPAC name is N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride.

Molecular Properties

Compound NameN-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride
PubChem CID20718127
Molecular FormulaC9H8Cl2FN
Molecular Weight220.07 g/mol
Exact Mass219.00
IUPAC NameN-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride
SMILESC/C(Cl)=N\c1cc(C)c(Cl)cc1F
InChIInChI=1S/C9H8Cl2FN/c1-5-3-9(13-6(2)10)8(12)4-7(5)11/h3-4H,1-2H3/b13-6+
InChIKeySVAMZLILDIWKFD-AWNIVKPZSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-fluoro-2-methyl-5-nitrosobenzene
CID 89048368
4-chloro-2-fluoro-5-methylbenzenethiol
CID 131028192
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
1-azido-2-chloro-4-fluoro-5-methylbenzene
CID 130520816
4-chloro-N-ethyl-2-fluoro-N,5-dimethylaniline
CID 143095408
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
(1S)-1-(4-chloro-2-fluoro-5-methylphenyl)ethanamine
CID 55255941
1-chloro-5-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776793
2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142
4-chloro-2-fluoro-5-methylbenzenesulfonamide
CID 71106537
4-chloro-2-fluoro-N-methoxy-5-methylaniline
CID 143098609
2-(5-chloro-2-fluoro-4-methylphenyl)ethanol
CID 117281244

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride?
The IUPAC name of N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride (CID 20718127) is N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride.
What is the SMILES notation for N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride?
The canonical SMILES for N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride is C/C(Cl)=N\c1cc(C)c(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride?
The InChIKey is SVAMZLILDIWKFD-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H8Cl2FN/c1-5-3-9(13-6(2)10)8(12)4-7(5)11/h3-4H,1-2H3/b13-6+.
What are the key properties of N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride?
N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride has a molecular weight of 220.07 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluoro-5-methylphenyl)ethanimidoyl chloride is sourced from PubChem (CID 20718127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).