N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide

C13H16F3N3O2 — CID 79790594

IUPACN-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1C
InChIInChI=1S/C13H16F3N3O2/c1-7-6-9(4-5-10(7)18-8(2)20)19-11(21)12(3,17)13(14,15)16/h4-6H,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZFZSMDRHAAPFRF-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.17
Rot. Bonds3

About N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide

N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79790594) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79790594
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1C
InChIInChI=1S/C13H16F3N3O2/c1-7-6-9(4-5-10(7)18-8(2)20)19-11(21)12(3,17)13(14,15)16/h4-6H,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZFZSMDRHAAPFRF-UHFFFAOYSA-N
XLogP2.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 79812206
2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79791630
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide
CID 79797113
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-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811706
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 79796818
N-[4-(1,1-difluoroethylsulfanyl)-2-methylphenyl]acetamide
CID 170047939
2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 79791847
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79797650

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide (CID 79790594) is N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide is CC(=O)Nc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is ZFZSMDRHAAPFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-7-6-9(4-5-10(7)18-8(2)20)19-11(21)12(3,17)13(14,15)16/h4-6H,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide?
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 303.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79790594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).