2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide

C14H18F3NO — CID 174866073

IUPAC2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide
SMILESCC(C)C(C)(C)C(=O)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C14H18F3NO/c1-8(2)14(3,4)13(19)18-7-10-11(16)5-9(15)6-12(10)17/h5-6,8H,7H2,1-4H3,(H,18,19)
InChIKeyRVWLSAAHFIYOMI-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.40
Rot. Bonds4

About 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide

2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide (PubChem CID 174866073) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide
PubChem CID174866073
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide
SMILESCC(C)C(C)(C)C(=O)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C14H18F3NO/c1-8(2)14(3,4)13(19)18-7-10-11(16)5-9(15)6-12(10)17/h5-6,8H,7H2,1-4H3,(H,18,19)
InChIKeyRVWLSAAHFIYOMI-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322
2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide
CID 174865579
tert-butyl N-[1-(2-ethyl-3,5-difluorophenyl)ethyl]carbamate
CID 118337488
(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine
CID 104868200
3-amino-N-[(2,4-difluorophenyl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 55053279
3-(2,5-difluorophenyl)sulfanyl-2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]propanamide
CID 134106707
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate
CID 87292552
[4-[hydroxy(methyl)carbamoyl]phenyl]methyl N-[(2,4,6-trifluorophenyl)methyl]carbamate
CID 90954419
N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110482303
2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid
CID 83402908
(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
CID 10846511

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide?
The IUPAC name of 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide (CID 174866073) is 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide.
What is the SMILES notation for 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide?
The canonical SMILES for 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide is CC(C)C(C)(C)C(=O)NCc1c(F)cc(F)cc1F.
What is the InChIKey of 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide?
The InChIKey is RVWLSAAHFIYOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-8(2)14(3,4)13(19)18-7-10-11(16)5-9(15)6-12(10)17/h5-6,8H,7H2,1-4H3,(H,18,19).
What are the key properties of 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide?
2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide has a molecular weight of 273.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide is sourced from PubChem (CID 174866073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).