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

C11H16FN3O — CID 43567846

IUPAC2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccc(N)cc1F
InChIInChI=1S/C11H16FN3O/c1-7(2)15-11(16)6-14-10-4-3-8(13)5-9(10)12/h3-5,7,14H,6,13H2,1-2H3,(H,15,16)
InChIKeyJMPAPPTZVIODLI-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.34
Rot. Bonds4

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

2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide (PubChem CID 43567846) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide
PubChem CID43567846
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccc(N)cc1F
InChIInChI=1S/C11H16FN3O/c1-7(2)15-11(16)6-14-10-4-3-8(13)5-9(10)12/h3-5,7,14H,6,13H2,1-2H3,(H,15,16)
InChIKeyJMPAPPTZVIODLI-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.34
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-(2-amino-5-bromo-4-fluoroanilino)-N-propan-2-ylacetamide
CID 116735525
2-(4-amino-2-fluoroanilino)-N-propan-2-ylpropanamide
CID 113406564
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81192554
4-(4-amino-2-fluoroanilino)butan-2-ol
CID 64928841
N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 64769835
3-(4-amino-2,6-difluorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62627895
2-(4-carbamothioyl-2,6-difluoroanilino)-N-propan-2-ylacetamide
CID 81286543

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide (CID 43567846) is 2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide?
The InChIKey is JMPAPPTZVIODLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7(2)15-11(16)6-14-10-4-3-8(13)5-9(10)12/h3-5,7,14H,6,13H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide?
2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide has a molecular weight of 225.27 g/mol, XLogP of 1.34, 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-ylacetamide is sourced from PubChem (CID 43567846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).