N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C15H19F3N2O2 — CID 166070234

IUPACN-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCc1cccc(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)c1C
InChIInChI=1S/C15H19F3N2O2/c1-8(2)12(20-14(22)15(16,17)18)13(21)19-11-7-5-6-9(3)10(11)4/h5-8,12H,1-4H3,(H,19,21)(H,20,22)
InChIKeyMJWAJJKUCMQSKQ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.95
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 166070234) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID166070234
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCc1cccc(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)c1C
InChIInChI=1S/C15H19F3N2O2/c1-8(2)12(20-14(22)15(16,17)18)13(21)19-11-7-5-6-9(3)10(11)4/h5-8,12H,1-4H3,(H,19,21)(H,20,22)
InChIKeyMJWAJJKUCMQSKQ-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4797784
N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166070249
3-methyl-N-[2-(3-methylbenzoyl)phenyl]-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166070243
methyl (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-3-methylbutanoate
CID 944009
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61200115
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
N-[1-[2-[(2,3-dimethylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55350899
3-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-2-methylbenzoic acid
CID 62947061

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 166070234) is N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is Cc1cccc(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is MJWAJJKUCMQSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-8(2)12(20-14(22)15(16,17)18)13(21)19-11-7-5-6-9(3)10(11)4/h5-8,12H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 316.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 166070234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).