2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide

C11H15F2N3O — CID 63734081

IUPAC2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc(N)cc1C(F)F
InChIInChI=1S/C11H15F2N3O/c1-2-15-10(17)6-16-9-4-3-7(14)5-8(9)11(12)13/h3-5,11,16H,2,6,14H2,1H3,(H,15,17)
InChIKeyIROQKYUJQGWSSF-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.75
Rot. Bonds5

About 2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide

2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide (PubChem CID 63734081) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide
PubChem CID63734081
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc(N)cc1C(F)F
InChIInChI=1S/C11H15F2N3O/c1-2-15-10(17)6-16-9-4-3-7(14)5-8(9)11(12)13/h3-5,11,16H,2,6,14H2,1H3,(H,15,17)
InChIKeyIROQKYUJQGWSSF-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-2-[[2-(ethylamino)-2-oxoethyl]amino]benzoate
CID 61307532
2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 55230611
2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine
CID 115566133
2-(2-amino-5-fluoroanilino)-N-ethylacetamide
CID 62377991
2-(2-amino-4-chloroanilino)-N-ethylacetamide
CID 43566811
3-[4-amino-2-(difluoromethyl)anilino]-3-methylbutanamide
CID 106095545
2-(3-aminoanilino)-N-ethylacetamide
CID 43566786
2-(difluoromethyl)-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine
CID 63750242
2-(2-aminoanilino)-N-ethylacetamide
CID 43566808
2-[4-amino-2-(difluoromethyl)anilino]propane-1,3-diol
CID 65310224
2-(difluoromethyl)-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 63749720
2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide
CID 43567846

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide?
The IUPAC name of 2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide (CID 63734081) is 2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide.
What is the SMILES notation for 2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide?
The canonical SMILES for 2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide is CCNC(=O)CNc1ccc(N)cc1C(F)F.
What is the InChIKey of 2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide?
The InChIKey is IROQKYUJQGWSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-2-15-10(17)6-16-9-4-3-7(14)5-8(9)11(12)13/h3-5,11,16H,2,6,14H2,1H3,(H,15,17).
What are the key properties of 2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide?
2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide has a molecular weight of 243.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide is sourced from PubChem (CID 63734081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).