3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide

C14H19F3N2O — CID 66481346

IUPAC3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C(F)(F)F)cc1NCCC(=O)NC(C)C
InChIInChI=1S/C14H19F3N2O/c1-9(2)19-13(20)6-7-18-12-8-11(14(15,16)17)5-4-10(12)3/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20)
InChIKeyTZTPKTRSZOGDIL-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.34
Rot. Bonds5

About 3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide

3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide (PubChem CID 66481346) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
PubChem CID66481346
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C(F)(F)F)cc1NCCC(=O)NC(C)C
InChIInChI=1S/C14H19F3N2O/c1-9(2)19-13(20)6-7-18-12-8-11(14(15,16)17)5-4-10(12)3/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20)
InChIKeyTZTPKTRSZOGDIL-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide
CID 66479559
N-butan-2-yl-2-[2-methyl-5-(trifluoromethyl)anilino]acetamide
CID 66476966
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
1-[2-methyl-5-(trifluoromethyl)phenyl]-3-propan-2-ylthiourea
CID 115669217
N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 60761684
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
CID 62814354
3-(3-bromo-4-methylanilino)-N-propan-2-ylpropanamide
CID 63333816
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide (CID 66481346) is 3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide is Cc1ccc(C(F)(F)F)cc1NCCC(=O)NC(C)C.
What is the InChIKey of 3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
The InChIKey is TZTPKTRSZOGDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)19-13(20)6-7-18-12-8-11(14(15,16)17)5-4-10(12)3/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20).
What are the key properties of 3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide has a molecular weight of 288.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 66481346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).