2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide

C10H8F6N2O — CID 79811217

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide
SMILESCC(N)(C(=O)Nc1cc(F)c(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C10H8F6N2O/c1-9(17,10(14,15)16)8(19)18-4-2-5(11)7(13)6(12)3-4/h2-3H,17H2,1H3,(H,18,19)
InChIKeyYXYIYWQWGJYWID-UHFFFAOYSA-N
MW286.18 g/mol
LogP2.32
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide (PubChem CID 79811217) has the molecular formula C10H8F6N2O and a molecular weight of 286.18 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide
PubChem CID79811217
Molecular FormulaC10H8F6N2O
Molecular Weight286.18 g/mol
Exact Mass286.05
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide
SMILESCC(N)(C(=O)Nc1cc(F)c(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C10H8F6N2O/c1-9(17,10(14,15)16)8(19)18-4-2-5(11)7(13)6(12)3-4/h2-3H,17H2,1H3,(H,18,19)
InChIKeyYXYIYWQWGJYWID-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 107365572
2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79791630
2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 79791847
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386
2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
CID 79796657
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide
CID 79796854
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzoic acid
CID 79805170
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796967
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-fluorobenzoic acid
CID 79811676
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 79812206

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide (CID 79811217) is 2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide is CC(N)(C(=O)Nc1cc(F)c(F)c(F)c1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide?
The InChIKey is YXYIYWQWGJYWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O/c1-9(17,10(14,15)16)8(19)18-4-2-5(11)7(13)6(12)3-4/h2-3H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide has a molecular weight of 286.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide is sourced from PubChem (CID 79811217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).