N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide

C11H10F6N2O2 — CID 102721725

IUPACN-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide
SMILESNc1ccccc1NC(=O)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2O2/c12-10(13,14)9(11(15,16)17)21-5-8(20)19-7-4-2-1-3-6(7)18/h1-4,9H,5,18H2,(H,19,20)
InChIKeyXJQCEBNZIURDSG-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.72
Rot. Bonds4

About N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide

N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide (PubChem CID 102721725) has the molecular formula C11H10F6N2O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide
PubChem CID102721725
Molecular FormulaC11H10F6N2O2
Molecular Weight316.20 g/mol
Exact Mass316.06
IUPAC NameN-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide
SMILESNc1ccccc1NC(=O)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2O2/c12-10(13,14)9(11(15,16)17)21-5-8(20)19-7-4-2-1-3-6(7)18/h1-4,9H,5,18H2,(H,19,20)
InChIKeyXJQCEBNZIURDSG-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.72
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

N-(2-aminophenyl)-2-(2,6-difluorophenoxy)acetamide
CID 81268833
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
N-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114868
N-(2-aminophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16782338
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N-(2-aminophenyl)-N'-[2-(trifluoromethoxy)phenyl]heptanediamide
CID 45256999
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(2-aminophenyl)-3,3-diphenylpropanamide
CID 28866940
N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82955375

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide (CID 102721725) is N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide is Nc1ccccc1NC(=O)COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide?
The InChIKey is XJQCEBNZIURDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O2/c12-10(13,14)9(11(15,16)17)21-5-8(20)19-7-4-2-1-3-6(7)18/h1-4,9H,5,18H2,(H,19,20).
What are the key properties of N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide?
N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide has a molecular weight of 316.20 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)acetamide is sourced from PubChem (CID 102721725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).