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

C11H13FN2O — CID 114615032

IUPAC5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H13FN2O/c1-7(2)6-14-11(15)9-5-8(13)3-4-10(9)12/h3-5H,1,6,13H2,2H3,(H,14,15)
InChIKeyUDXSQECPXFXYGA-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.71
Rot. Bonds3

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

5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide (PubChem CID 114615032) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
PubChem CID114615032
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H13FN2O/c1-7(2)6-14-11(15)9-5-8(13)3-4-10(9)12/h3-5H,1,6,13H2,2H3,(H,14,15)
InChIKeyUDXSQECPXFXYGA-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

5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114614947
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide (CID 114615032) is 5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is UDXSQECPXFXYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7(2)6-14-11(15)9-5-8(13)3-4-10(9)12/h3-5H,1,6,13H2,2H3,(H,14,15).
What are the key properties of 5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide?
5-amino-2-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 5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 114615032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).