2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide

C12H17FN2O — CID 62650764

IUPAC2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1cccc(F)c1N
InChIInChI=1S/C12H17FN2O/c1-4-8(2)15(3)12(16)9-6-5-7-10(13)11(9)14/h5-8H,4,14H2,1-3H3
InChIKeyUIULQXIDXOZIRO-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide

2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide (PubChem CID 62650764) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
PubChem CID62650764
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1cccc(F)c1N
InChIInChI=1S/C12H17FN2O/c1-4-8(2)15(3)12(16)9-6-5-7-10(13)11(9)14/h5-8H,4,14H2,1-3H3
InChIKeyUIULQXIDXOZIRO-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide?
The IUPAC name of 2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide (CID 62650764) is 2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide is CCC(C)N(C)C(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide?
The InChIKey is UIULQXIDXOZIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-4-8(2)15(3)12(16)9-6-5-7-10(13)11(9)14/h5-8H,4,14H2,1-3H3.
What are the key properties of 2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide?
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide has a molecular weight of 224.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 62650764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).