N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide

C11H14F2N2O — CID 107530150

IUPACN-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(F)c(C)cc1F
InChIInChI=1S/C11H14F2N2O/c1-7-5-10(13)11(6-9(7)12)15-4-3-14-8(2)16/h5-6,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyRKNHWZFCYUCHNC-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.82
Rot. Bonds4

About N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide

N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide (PubChem CID 107530150) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide
PubChem CID107530150
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC NameN-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(F)c(C)cc1F
InChIInChI=1S/C11H14F2N2O/c1-7-5-10(13)11(6-9(7)12)15-4-3-14-8(2)16/h5-6,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyRKNHWZFCYUCHNC-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromo-5-fluoro-2-methylanilino)ethyl]acetamide
CID 107530080
methyl 4-(2,5-difluoro-4-methylanilino)butanoate
CID 103585526
N-[2-(2,5-dimethylanilino)ethyl]acetamide
CID 103604085
N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
CID 116735517
2,5-difluoro-4-methyl-N-(4-methylpentyl)aniline
CID 103585744
N-[2-(4-amino-2,6-difluoroanilino)ethyl]acetamide
CID 61015513
2,5-difluoro-4-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103585178
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
CID 103586293
1-(azepan-1-yl)-2-(2,5-difluoro-4-methylanilino)ethanone
CID 103585764
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide (CID 107530150) is N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide is CC(=O)NCCNc1cc(F)c(C)cc1F.
What is the InChIKey of N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide?
The InChIKey is RKNHWZFCYUCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7-5-10(13)11(6-9(7)12)15-4-3-14-8(2)16/h5-6,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide?
N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide has a molecular weight of 228.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluoro-4-methylanilino)ethyl]acetamide is sourced from PubChem (CID 107530150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).