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

C11H13FN2O — CID 114614947

IUPAC3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H13FN2O/c1-7(2)6-14-11(15)8-3-9(12)5-10(13)4-8/h3-5H,1,6,13H2,2H3,(H,14,15)
InChIKeyJRARRSLKCHCPGB-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.71
Rot. Bonds3

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

3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide (PubChem CID 114614947) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide
PubChem CID114614947
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H13FN2O/c1-7(2)6-14-11(15)8-3-9(12)5-10(13)4-8/h3-5H,1,6,13H2,2H3,(H,14,15)
InChIKeyJRARRSLKCHCPGB-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-fluorobenzamide
CID 83108641
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162855
5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114614951
3-amino-5-fluoro-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425062
3-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluorobenzamide
CID 106139452
3-bromo-N-(2-methylprop-2-enyl)-5-sulfamoylbenzamide
CID 114618251
3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83183642

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide (CID 114614947) is 3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is JRARRSLKCHCPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7(2)6-14-11(15)8-3-9(12)5-10(13)4-8/h3-5H,1,6,13H2,2H3,(H,14,15).
What are the key properties of 3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide?
3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 208.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 114614947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).