2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide

C12H18FN3O2 — CID 63592937

IUPAC2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cc(N(C)CC(N)=O)c(N)cc1F
InChIInChI=1S/C12H18FN3O2/c1-7(2)18-11-5-10(9(14)4-8(11)13)16(3)6-12(15)17/h4-5,7H,6,14H2,1-3H3,(H2,15,17)
InChIKeyHZASLRLYSZYYBI-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.12
Rot. Bonds5

About 2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide

2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide (PubChem CID 63592937) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
PubChem CID63592937
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cc(N(C)CC(N)=O)c(N)cc1F
InChIInChI=1S/C12H18FN3O2/c1-7(2)18-11-5-10(9(14)4-8(11)13)16(3)6-12(15)17/h4-5,7H,6,14H2,1-3H3,(H2,15,17)
InChIKeyHZASLRLYSZYYBI-UHFFFAOYSA-N
XLogP1.12
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.12
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-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide
CID 63592607
2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide
CID 63592936
3-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)-N-methylpropanamide
CID 106914131
1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592276
4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
1-N-benzyl-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592554
2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide
CID 113393311
2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
CID 63599950
4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 63593111
3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide
CID 106914404
4-(difluoromethoxy)-5-fluoro-2-N-methyl-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 63592425

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide?
The IUPAC name of 2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide (CID 63592937) is 2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for 2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide?
The canonical SMILES for 2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide is CC(C)Oc1cc(N(C)CC(N)=O)c(N)cc1F.
What is the InChIKey of 2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide?
The InChIKey is HZASLRLYSZYYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-7(2)18-11-5-10(9(14)4-8(11)13)16(3)6-12(15)17/h4-5,7H,6,14H2,1-3H3,(H2,15,17).
What are the key properties of 2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide?
2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide has a molecular weight of 255.29 g/mol, XLogP of 1.12, 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-N-methyl-5-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 63592937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).