2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide

C14H22FN3O2 — CID 63594207

IUPAC2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
SMILESCC(C)Oc1cc(NC(C)C(=O)N(C)C)c(N)cc1F
InChIInChI=1S/C14H22FN3O2/c1-8(2)20-13-7-12(11(16)6-10(13)15)17-9(3)14(19)18(4)5/h6-9,17H,16H2,1-5H3
InChIKeyVCSSQGKQTHGNNU-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.08
Rot. Bonds5

About 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide

2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide (PubChem CID 63594207) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
PubChem CID63594207
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
SMILESCC(C)Oc1cc(NC(C)C(=O)N(C)C)c(N)cc1F
InChIInChI=1S/C14H22FN3O2/c1-8(2)20-13-7-12(11(16)6-10(13)15)17-9(3)14(19)18(4)5/h6-9,17H,16H2,1-5H3
InChIKeyVCSSQGKQTHGNNU-UHFFFAOYSA-N
XLogP2.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide (CID 63594207) is 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide is CC(C)Oc1cc(NC(C)C(=O)N(C)C)c(N)cc1F.
What is the InChIKey of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide?
The InChIKey is VCSSQGKQTHGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-8(2)20-13-7-12(11(16)6-10(13)15)17-9(3)14(19)18(4)5/h6-9,17H,16H2,1-5H3.
What are the key properties of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide?
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide has a molecular weight of 283.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 63594207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).