2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide

C11H15F2N3O — CID 71047365

IUPAC2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide
SMILESCc1cc(F)cc(F)c1NCCNCC(N)=O
InChIInChI=1S/C11H15F2N3O/c1-7-4-8(12)5-9(13)11(7)16-3-2-15-6-10(14)17/h4-5,15-16H,2-3,6H2,1H3,(H2,14,17)
InChIKeyHXRNUGCFCXOBAZ-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.76
Rot. Bonds6

About 2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide

2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide (PubChem CID 71047365) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide
PubChem CID71047365
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide
SMILESCc1cc(F)cc(F)c1NCCNCC(N)=O
InChIInChI=1S/C11H15F2N3O/c1-7-4-8(12)5-9(13)11(7)16-3-2-15-6-10(14)17/h4-5,15-16H,2-3,6H2,1H3,(H2,14,17)
InChIKeyHXRNUGCFCXOBAZ-UHFFFAOYSA-N
XLogP0.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide?
The IUPAC name of 2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide (CID 71047365) is 2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide?
The canonical SMILES for 2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide is Cc1cc(F)cc(F)c1NCCNCC(N)=O.
What is the InChIKey of 2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide?
The InChIKey is HXRNUGCFCXOBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-7-4-8(12)5-9(13)11(7)16-3-2-15-6-10(14)17/h4-5,15-16H,2-3,6H2,1H3,(H2,14,17).
What are the key properties of 2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide?
2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide has a molecular weight of 243.26 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide is sourced from PubChem (CID 71047365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).