2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide

C12H16F2N2O2 — CID 114126710

IUPAC2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide
SMILESNc1ccccc1CC(=O)NCCOCC(F)F
InChIInChI=1S/C12H16F2N2O2/c13-11(14)8-18-6-5-16-12(17)7-9-3-1-2-4-10(9)15/h1-4,11H,5-8,15H2,(H,16,17)
InChIKeyPXIPBYAVMHXBFC-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.21
Rot. Bonds7

About 2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide

2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide (PubChem CID 114126710) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide
PubChem CID114126710
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide
SMILESNc1ccccc1CC(=O)NCCOCC(F)F
InChIInChI=1S/C12H16F2N2O2/c13-11(14)8-18-6-5-16-12(17)7-9-3-1-2-4-10(9)15/h1-4,11H,5-8,15H2,(H,16,17)
InChIKeyPXIPBYAVMHXBFC-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 103099351
2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499909
2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
CID 103950989
N-[2-(2,2-difluoroethoxy)ethyl]-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 103082307
2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033035
N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
CID 103205555
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205623
2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 81322828
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568
4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103099439

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide (CID 114126710) is 2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide is Nc1ccccc1CC(=O)NCCOCC(F)F.
What is the InChIKey of 2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide?
The InChIKey is PXIPBYAVMHXBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-11(14)8-18-6-5-16-12(17)7-9-3-1-2-4-10(9)15/h1-4,11H,5-8,15H2,(H,16,17).
What are the key properties of 2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide?
2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide has a molecular weight of 258.27 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 114126710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).