1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine

C16H15ClFNO — CID 72558098

IUPAC1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1ccc(-c2cc(F)ccc2C)cc1Cl
InChIInChI=1S/C16H15ClFNO/c1-10-4-6-13(18)9-15(10)12-5-7-14(16(17)8-12)11(2)19-20-3/h4-9H,1-3H3
InChIKeyVXIOWKADJWTVRE-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.82
Rot. Bonds3

About 1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine

1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine (PubChem CID 72558098) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine
PubChem CID72558098
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1ccc(-c2cc(F)ccc2C)cc1Cl
InChIInChI=1S/C16H15ClFNO/c1-10-4-6-13(18)9-15(10)12-5-7-14(16(17)8-12)11(2)19-20-3/h4-9H,1-3H3
InChIKeyVXIOWKADJWTVRE-UHFFFAOYSA-N
XLogP4.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.82
H-Bond Donors ≤ 50
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

(NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135418300
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine
CID 72558107
1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine
CID 157203273
2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225722
[5-(2-chloro-5-fluorophenyl)-2-methylphenyl]methanol
CID 172654205
5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
CID 113324877
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine
CID 135075443
5-(5-fluoro-2-methoxyphenyl)-2-methylphenol
CID 53218963
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine?
The IUPAC name of 1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine (CID 72558098) is 1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine.
What is the SMILES notation for 1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine?
The canonical SMILES for 1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine is CON=C(C)c1ccc(-c2cc(F)ccc2C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine?
The InChIKey is VXIOWKADJWTVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-10-4-6-13(18)9-15(10)12-5-7-14(16(17)8-12)11(2)19-20-3/h4-9H,1-3H3.
What are the key properties of 1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine?
1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine has a molecular weight of 291.75 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine is sourced from PubChem (CID 72558098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).