2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide

C18H18FNO2 — CID 126636286

IUPAC2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide
SMILESC=Cc1cccc(F)c1C(=O)N(C)c1cccc(C)c1CO
InChIInChI=1S/C18H18FNO2/c1-4-13-8-6-9-15(19)17(13)18(22)20(3)16-10-5-7-12(2)14(16)11-21/h4-10,21H,1,11H2,2-3H3
InChIKeyNQJABZZANFAKAK-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.55
Rot. Bonds4

About 2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide

2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide (PubChem CID 126636286) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide
PubChem CID126636286
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide
SMILESC=Cc1cccc(F)c1C(=O)N(C)c1cccc(C)c1CO
InChIInChI=1S/C18H18FNO2/c1-4-13-8-6-9-15(19)17(13)18(22)20(3)16-10-5-7-12(2)14(16)11-21/h4-10,21H,1,11H2,2-3H3
InChIKeyNQJABZZANFAKAK-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
2,6-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739175
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
1-(2-ethenyl-6-fluorophenyl)propan-2-one
CID 160689152
[2-[amino(methyl)amino]-6-fluorophenyl]methanol
CID 144830729
acetic acid;(2,6-dimethylphenyl)methanol
CID 71387321
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
methyl 2-(2-ethenyl-6-fluorophenyl)acetate
CID 149339136
2-(ethylamino)-3-fluoro-N-methyl-N-(2-methylphenyl)benzamide
CID 62661216
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
CID 61350833
2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
CID 113251002

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide?
The IUPAC name of 2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide (CID 126636286) is 2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide.
What is the SMILES notation for 2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide?
The canonical SMILES for 2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide is C=Cc1cccc(F)c1C(=O)N(C)c1cccc(C)c1CO.
What is the InChIKey of 2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide?
The InChIKey is NQJABZZANFAKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-4-13-8-6-9-15(19)17(13)18(22)20(3)16-10-5-7-12(2)14(16)11-21/h4-10,21H,1,11H2,2-3H3.
What are the key properties of 2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide?
2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide has a molecular weight of 299.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-fluoro-N-[2-(hydroxymethyl)-3-methylphenyl]-N-methylbenzamide is sourced from PubChem (CID 126636286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).