N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide

C11H10F6N2O — CID 2817483

IUPACN-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
SMILESCC(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2O/c1-7(20)18-9(10(12,13)14,11(15,16)17)19-8-5-3-2-4-6-8/h2-6,19H,1H3,(H,18,20)
InChIKeyMDICFEQKWOMVIC-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.06
Rot. Bonds3

About N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide

N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide (PubChem CID 2817483) has the molecular formula C11H10F6N2O and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
PubChem CID2817483
Molecular FormulaC11H10F6N2O
Molecular Weight300.20 g/mol
Exact Mass300.07
IUPAC NameN-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
SMILESCC(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2O/c1-7(20)18-9(10(12,13)14,11(15,16)17)19-8-5-3-2-4-6-8/h2-6,19H,1H3,(H,18,20)
InChIKeyMDICFEQKWOMVIC-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1,1,1,3,3,3-hexafluoro-2-(3-methylanilino)propan-2-yl]acetamide
CID 56690790
N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide
CID 1241502
N-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyanilino)propan-2-yl]benzamide
CID 570257
ethyl (2R)-2-acetamido-2-anilino-3,3,3-trifluoropropanoate
CID 7037296
2-anilino-3,3,3-trifluoro-2-methylpropanoic acid
CID 106523306
2-acetamido-2-methyl-N-phenylpropanamide
CID 67963180
N-phenylacetamide;trifluoromethanesulfonamide
CID 174361044
cobalt;N-phenylacetamide
CID 158689050
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide
CID 3658518
N-[2-(4-chloroanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-ethoxybenzamide
CID 2729352
2-anilino-2-hydroxypropanoic acid
CID 159388558

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide?
The IUPAC name of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide (CID 2817483) is N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide.
What is the SMILES notation for N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide?
The canonical SMILES for N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide is CC(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide?
The InChIKey is MDICFEQKWOMVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O/c1-7(20)18-9(10(12,13)14,11(15,16)17)19-8-5-3-2-4-6-8/h2-6,19H,1H3,(H,18,20).
What are the key properties of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide?
N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide has a molecular weight of 300.20 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide is sourced from PubChem (CID 2817483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).