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

C15H24FN3O2 — CID 63591734

IUPAC2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
SMILESCCCOc1cc(N(CC(N)=O)CC(C)C)c(N)cc1F
InChIInChI=1S/C15H24FN3O2/c1-4-5-21-14-7-13(12(17)6-11(14)16)19(8-10(2)3)9-15(18)20/h6-7,10H,4-5,8-9,17H2,1-3H3,(H2,18,20)
InChIKeyKEHXHXJSERNABM-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.14
Rot. Bonds8

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

2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide (PubChem CID 63591734) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide.

Molecular Properties

Compound Name2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
PubChem CID63591734
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
SMILESCCCOc1cc(N(CC(N)=O)CC(C)C)c(N)cc1F
InChIInChI=1S/C15H24FN3O2/c1-4-5-21-14-7-13(12(17)6-11(14)16)19(8-10(2)3)9-15(18)20/h6-7,10H,4-5,8-9,17H2,1-3H3,(H2,18,20)
InChIKeyKEHXHXJSERNABM-UHFFFAOYSA-N
XLogP2.14
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.14
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-5-methoxy-N-(2-methylpropyl)anilino]acetamide
CID 63599950
2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide
CID 63592936
4-fluoro-1-N-(2-methylpropyl)-1-N-propan-2-yl-5-propoxybenzene-1,2-diamine
CID 63591731
2-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide
CID 63592607
2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide
CID 55216070
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
2-(2-amino-N-butyl-4-fluoro-5-propoxyanilino)ethanol
CID 63592250
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-propoxy-1-N-propylbenzene-1,2-diamine
CID 63592798
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
CID 63592937
3-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)butanenitrile
CID 63591941
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 106747549

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide?
The IUPAC name of 2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide (CID 63591734) is 2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide.
What is the SMILES notation for 2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide?
The canonical SMILES for 2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide is CCCOc1cc(N(CC(N)=O)CC(C)C)c(N)cc1F.
What is the InChIKey of 2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide?
The InChIKey is KEHXHXJSERNABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-4-5-21-14-7-13(12(17)6-11(14)16)19(8-10(2)3)9-15(18)20/h6-7,10H,4-5,8-9,17H2,1-3H3,(H2,18,20).
What are the key properties of 2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide?
2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide has a molecular weight of 297.37 g/mol, XLogP of 2.14, 8 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-(2-methylpropyl)-5-propoxyanilino]acetamide is sourced from PubChem (CID 63591734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).