methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate

C17H16FNO2 — CID 135086847

IUPACmethyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate
SMILESCOC(=O)C/N=C(\c1cccc(C)c1)c1ccccc1F
InChIInChI=1S/C17H16FNO2/c1-12-6-5-7-13(10-12)17(19-11-16(20)21-2)14-8-3-4-9-15(14)18/h3-10H,11H2,1-2H3/b19-17+
InChIKeyOBMFTHIIVPJOAZ-HTXNQAPBSA-N
MW285.32 g/mol
LogP3.14
Rot. Bonds4

About methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate

methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate (PubChem CID 135086847) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate
PubChem CID135086847
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Namemethyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate
SMILESCOC(=O)C/N=C(\c1cccc(C)c1)c1ccccc1F
InChIInChI=1S/C17H16FNO2/c1-12-6-5-7-13(10-12)17(19-11-16(20)21-2)14-8-3-4-9-15(14)18/h3-10H,11H2,1-2H3/b19-17+
InChIKeyOBMFTHIIVPJOAZ-HTXNQAPBSA-N
XLogP3.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate?
The IUPAC name of methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate (CID 135086847) is methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate?
The canonical SMILES for methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate is COC(=O)C/N=C(\c1cccc(C)c1)c1ccccc1F.
What is the InChIKey of methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate?
The InChIKey is OBMFTHIIVPJOAZ-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-12-6-5-7-13(10-12)17(19-11-16(20)21-2)14-8-3-4-9-15(14)18/h3-10H,11H2,1-2H3/b19-17+.
What are the key properties of methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate?
methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate has a molecular weight of 285.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate is sourced from PubChem (CID 135086847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).