5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide

C12H15FN2O — CID 103296717

IUPAC5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C12H15FN2O/c1-4-5-15(3)12(16)10-7-9(14)6-8(2)11(10)13/h4,6-7H,1,5,14H2,2-3H3
InChIKeyYLYUNPKGOCTOKA-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.97
Rot. Bonds3

About 5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide

5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide (PubChem CID 103296717) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
PubChem CID103296717
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C12H15FN2O/c1-4-5-15(3)12(16)10-7-9(14)6-8(2)11(10)13/h4,6-7H,1,5,14H2,2-3H3
InChIKeyYLYUNPKGOCTOKA-UHFFFAOYSA-N
XLogP1.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
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-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide
CID 107185667
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822
5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 103296048
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
5-amino-2-fluoro-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 103295980
5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 103295951

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide (CID 103296717) is 5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide is C=CCN(C)C(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide?
The InChIKey is YLYUNPKGOCTOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-4-5-15(3)12(16)10-7-9(14)6-8(2)11(10)13/h4,6-7H,1,5,14H2,2-3H3.
What are the key properties of 5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide?
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide has a molecular weight of 222.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 103296717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).