2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide

C12H18FN3O — CID 113406564

IUPAC2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1ccc(N)cc1F
InChIInChI=1S/C12H18FN3O/c1-7(2)15-12(17)8(3)16-11-5-4-9(14)6-10(11)13/h4-8,16H,14H2,1-3H3,(H,15,17)
InChIKeyFTXMBCHZLXPWOG-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.73
Rot. Bonds4

About 2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide

2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide (PubChem CID 113406564) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide
PubChem CID113406564
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1ccc(N)cc1F
InChIInChI=1S/C12H18FN3O/c1-7(2)15-12(17)8(3)16-11-5-4-9(14)6-10(11)13/h4-8,16H,14H2,1-3H3,(H,15,17)
InChIKeyFTXMBCHZLXPWOG-UHFFFAOYSA-N
XLogP1.73
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide
CID 43567846
N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298
2-(5-bromo-4-fluoro-2-nitroanilino)-N-propan-2-ylpropanamide
CID 116737298
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
2-fluoro-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,4-diamine
CID 54952869
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
2-fluoro-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 106387593
2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
CID 43347728
2-(4-cyano-2-fluoroanilino)propanamide
CID 43657192
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide (CID 113406564) is 2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Nc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide?
The InChIKey is FTXMBCHZLXPWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-7(2)15-12(17)8(3)16-11-5-4-9(14)6-10(11)13/h4-8,16H,14H2,1-3H3,(H,15,17).
What are the key properties of 2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide?
2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide has a molecular weight of 239.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113406564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).