3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide

C11H15FN2O2 — CID 43436935

IUPAC3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H15FN2O2/c1-7(6-16-2)14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyVAMUDHAVECOPFL-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.17
Rot. Bonds4

About 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide

3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 43436935) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide
PubChem CID43436935
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H15FN2O2/c1-7(6-16-2)14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyVAMUDHAVECOPFL-UHFFFAOYSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide (CID 43436935) is 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is VAMUDHAVECOPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(6-16-2)14-11(15)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide?
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 226.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 43436935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).