2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide

C13H20FN3O2 — CID 63599950

IUPAC2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
SMILESCOc1cc(N(CC(N)=O)CC(C)C)c(N)cc1F
InChIInChI=1S/C13H20FN3O2/c1-8(2)6-17(7-13(16)18)11-5-12(19-3)9(14)4-10(11)15/h4-5,8H,6-7,15H2,1-3H3,(H2,16,18)
InChIKeyIGFHETUEQQHKIE-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.36
Rot. Bonds6

About 2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide

2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide (PubChem CID 63599950) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide.

Molecular Properties

Compound Name2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
PubChem CID63599950
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
SMILESCOc1cc(N(CC(N)=O)CC(C)C)c(N)cc1F
InChIInChI=1S/C13H20FN3O2/c1-8(2)6-17(7-13(16)18)11-5-12(19-3)9(14)4-10(11)15/h4-5,8H,6-7,15H2,1-3H3,(H2,16,18)
InChIKeyIGFHETUEQQHKIE-UHFFFAOYSA-N
XLogP1.36
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
CID 63591734
2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide
CID 55216070
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine
CID 63597494
2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide
CID 63592607
2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
CID 63592937
3-amino-4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzoic acid
CID 55003908
4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 63597825
2-[6-amino-2,3-difluoro-N-(2-methylpropyl)anilino]acetamide
CID 62533871
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 106747549
4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 83001129
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103187578
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide?
The IUPAC name of 2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide (CID 63599950) is 2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide.
What is the SMILES notation for 2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide?
The canonical SMILES for 2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide is COc1cc(N(CC(N)=O)CC(C)C)c(N)cc1F.
What is the InChIKey of 2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide?
The InChIKey is IGFHETUEQQHKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-8(2)6-17(7-13(16)18)11-5-12(19-3)9(14)4-10(11)15/h4-5,8H,6-7,15H2,1-3H3,(H2,16,18).
What are the key properties of 2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide?
2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide has a molecular weight of 269.32 g/mol, XLogP of 1.36, 6 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-methoxy-N-(2-methylpropyl)anilino]acetamide is sourced from PubChem (CID 63599950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).