N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide

C14H16F6N2O — CID 16763847

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide
SMILESCc1ccccc1NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H16F6N2O/c1-8(2)11(23)22-12(13(15,16)17,14(18,19)20)21-10-7-5-4-6-9(10)3/h4-8,21H,1-3H3,(H,22,23)
InChIKeyJIDKBNITLJZLJN-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.00
Rot. Bonds4

About N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide

N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide (PubChem CID 16763847) has the molecular formula C14H16F6N2O and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide
PubChem CID16763847
Molecular FormulaC14H16F6N2O
Molecular Weight342.28 g/mol
Exact Mass342.12
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide
SMILESCc1ccccc1NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H16F6N2O/c1-8(2)11(23)22-12(13(15,16)17,14(18,19)20)21-10-7-5-4-6-9(10)3/h4-8,21H,1-3H3,(H,22,23)
InChIKeyJIDKBNITLJZLJN-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.00
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

ethyl N-[1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)anilino]propan-2-yl]carbamate
CID 2264269
ethyl N-[1,1,1,3,3,3-hexafluoro-2-(2-fluoroanilino)propan-2-yl]carbamate
CID 2264268
ethyl (2R)-3,3,3-trifluoro-2-(2-methylanilino)-2-(propan-2-yloxycarbonylamino)propanoate
CID 6583146
3,3,3-trifluoro-2-methyl-2-(2-methylanilino)propan-1-ol
CID 106523413
N-[2-(3-chloro-2-methylanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
CID 3823783
2-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232
2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
CID 71672661
2-(2-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996305
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
CID 2817483

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide (CID 16763847) is N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide is Cc1ccccc1NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide?
The InChIKey is JIDKBNITLJZLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6N2O/c1-8(2)11(23)22-12(13(15,16)17,14(18,19)20)21-10-7-5-4-6-9(10)3/h4-8,21H,1-3H3,(H,22,23).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide?
N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide has a molecular weight of 342.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(2-methylanilino)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 16763847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).