2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide

C12H17F2N3O — CID 62533871

IUPAC2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide
SMILESCC(C)CN(CC(N)=O)c1c(N)ccc(F)c1F
InChIInChI=1S/C12H17F2N3O/c1-7(2)5-17(6-10(16)18)12-9(15)4-3-8(13)11(12)14/h3-4,7H,5-6,15H2,1-2H3,(H2,16,18)
InChIKeyARPZAUJLEGXDIK-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.49
Rot. Bonds5

About 2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide

2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide (PubChem CID 62533871) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide.

Molecular Properties

Compound Name2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide
PubChem CID62533871
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide
SMILESCC(C)CN(CC(N)=O)c1c(N)ccc(F)c1F
InChIInChI=1S/C12H17F2N3O/c1-7(2)5-17(6-10(16)18)12-9(15)4-3-8(13)11(12)14/h3-4,7H,5-6,15H2,1-2H3,(H2,16,18)
InChIKeyARPZAUJLEGXDIK-UHFFFAOYSA-N
XLogP1.49
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
CID 112578601
3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide
CID 79773800
2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
CID 63599950
2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 55002568
2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80820404
3-amino-4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzoic acid
CID 55003908
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-5-chlorobenzoic acid
CID 55009627
5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61109173
3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine
CID 62533650
2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
CID 63591734
2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine
CID 62531626
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide?
The IUPAC name of 2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide (CID 62533871) is 2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide.
What is the SMILES notation for 2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide?
The canonical SMILES for 2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide is CC(C)CN(CC(N)=O)c1c(N)ccc(F)c1F.
What is the InChIKey of 2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide?
The InChIKey is ARPZAUJLEGXDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-7(2)5-17(6-10(16)18)12-9(15)4-3-8(13)11(12)14/h3-4,7H,5-6,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide?
2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide has a molecular weight of 257.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide is sourced from PubChem (CID 62533871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).