4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide

C11H10F6N2O2 — CID 102721635

IUPAC4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2O2/c1-19-8(20)6-3-2-5(18)4-7(6)21-9(10(12,13)14)11(15,16)17/h2-4,9H,18H2,1H3,(H,19,20)
InChIKeyOVWBYRAFYXKKBG-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.50
Rot. Bonds3

About 4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide

4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide (PubChem CID 102721635) has the molecular formula C11H10F6N2O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide
PubChem CID102721635
Molecular FormulaC11H10F6N2O2
Molecular Weight316.20 g/mol
Exact Mass316.06
IUPAC Name4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2O2/c1-19-8(20)6-3-2-5(18)4-7(6)21-9(10(12,13)14)11(15,16)17/h2-4,9H,18H2,1H3,(H,19,20)
InChIKeyOVWBYRAFYXKKBG-UHFFFAOYSA-N
XLogP2.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-amino-2-(deuteriomethylcarbamoyl)phenyl] 2,2,2-trifluoroacetate
CID 156631794
4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide
CID 107168498
4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide
CID 115505387
4-amino-2-(3,4-dimethylcyclohexyl)oxy-N-methylbenzamide
CID 64746879
4-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 170995658
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide
CID 103176833
4-amino-2-propan-2-yloxybenzamide
CID 53495725
methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate
CID 106955156
4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276494
4-amino-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-methylbenzamide
CID 79248207
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide?
The IUPAC name of 4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide (CID 102721635) is 4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide?
The canonical SMILES for 4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide is CNC(=O)c1ccc(N)cc1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide?
The InChIKey is OVWBYRAFYXKKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O2/c1-19-8(20)6-3-2-5(18)4-7(6)21-9(10(12,13)14)11(15,16)17/h2-4,9H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide?
4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide has a molecular weight of 316.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylbenzamide is sourced from PubChem (CID 102721635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).