3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide

C12H14FNO — CID 114618286

IUPAC3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C12H14FNO/c1-8(2)7-14-12(15)10-4-9(3)5-11(13)6-10/h4-6H,1,7H2,2-3H3,(H,14,15)
InChIKeyMEUVQWCDIAJHQH-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.44
Rot. Bonds3

About 3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide

3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 114618286) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID114618286
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C12H14FNO/c1-8(2)7-14-12(15)10-4-9(3)5-11(13)6-10/h4-6H,1,7H2,2-3H3,(H,14,15)
InChIKeyMEUVQWCDIAJHQH-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114614947
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
CID 119504618
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 122142996
4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide
CID 126787465
N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3-chloro-5-methyl-N-(2-oxopropyl)benzamide
CID 81323572
2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 114619039

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide (CID 114618286) is 3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1cc(C)cc(F)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is MEUVQWCDIAJHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8(2)7-14-12(15)10-4-9(3)5-11(13)6-10/h4-6H,1,7H2,2-3H3,(H,14,15).
What are the key properties of 3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide?
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 207.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 114618286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).