ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide

C14H22F3NO — CID 145192130

IUPACethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC.CC.Cc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO.2C2H6/c1-7-2-4-8(5-3-7)9(15)14-6-10(11,12)13;2*1-2/h2-5H,6H2,1H3,(H,14,15);2*1-2H3
InChIKeyAEPJAWMCPXAYLV-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.34
Rot. Bonds2

About ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide

ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 145192130) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Nameethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID145192130
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Nameethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC.CC.Cc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO.2C2H6/c1-7-2-4-8(5-3-7)9(15)14-6-10(11,12)13;2*1-2/h2-5H,6H2,1H3,(H,14,15);2*1-2H3
InChIKeyAEPJAWMCPXAYLV-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78791752
4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 2576736
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
4-[(Z)-hydroxyiminomethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 87391037
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 145192130) is ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide is CC.CC.Cc1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AEPJAWMCPXAYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO.2C2H6/c1-7-2-4-8(5-3-7)9(15)14-6-10(11,12)13;2*1-2/h2-5H,6H2,1H3,(H,14,15);2*1-2H3.
What are the key properties of ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 277.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 145192130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).