methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate

C17H16FNO — CID 145226169

IUPACmethyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate
SMILESC=C(/N=C(\OC)c1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C17H16FNO/c1-12-7-6-8-14(11-12)13(2)19-17(20-3)15-9-4-5-10-16(15)18/h4-11H,2H2,1,3H3/b19-17-
InChIKeyKFIJBXZIMRQETD-ZPHPHTNESA-N
MW269.32 g/mol
LogP4.20
Rot. Bonds3

About methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate

methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate (PubChem CID 145226169) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate.

Molecular Properties

Compound Namemethyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate
PubChem CID145226169
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate
SMILESC=C(/N=C(\OC)c1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C17H16FNO/c1-12-7-6-8-14(11-12)13(2)19-17(20-3)15-9-4-5-10-16(15)18/h4-11H,2H2,1,3H3/b19-17-
InChIKeyKFIJBXZIMRQETD-ZPHPHTNESA-N
XLogP4.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
(4S)-4-fluoro-4,9-dimethyl-2-phenyl-5H-3,1-benzoxazepine
CID 154715473
ethyl N-phenylbenzenecarboximidate
CID 290892
2-(2,6-difluorophenyl)-4-methyl-4-phenyl-5H-1,3-oxazole
CID 76308796
N-[4-(Trifluoromethyl)phenyl]benzimidic acid 2-hexenyl ester
CID 10760059
Benzenecarboximidic acid, N-phenyl-, methyl ester
CID 10536734
methyl N-(4-butylphenyl)benzenecarboximidate
CID 22020473
2-(2-fluorophenyl)-4-(3-methylphenyl)-6H-1,3-oxazin-6-one
CID 884117
2-(3-fluorophenyl)-4-(3-methylphenyl)-6H-1,3-oxazin-6-one
CID 3284110
4-(2-Fluorophenyl)-2-(3-methylphenyl)-1,3-oxazin-6-one
CID 22331042
2-(2,6-Difluorophenyl)-4-(3-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76316023
2-(2,6-Difluorophenyl)-4-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 76330612

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate?
The IUPAC name of methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate (CID 145226169) is methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate.
What is the SMILES notation for methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate?
The canonical SMILES for methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate is C=C(/N=C(\OC)c1ccccc1F)c1cccc(C)c1.
What is the InChIKey of methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate?
The InChIKey is KFIJBXZIMRQETD-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-7-6-8-14(11-12)13(2)19-17(20-3)15-9-4-5-10-16(15)18/h4-11H,2H2,1,3H3/b19-17-.
What are the key properties of methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate?
methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate has a molecular weight of 269.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-N-[1-(3-methylphenyl)ethenyl]benzenecarboximidate is sourced from PubChem (CID 145226169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).