4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C12H14F3NO — CID 69057682

IUPAC4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCc1ccc(C(=O)N(C)CC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c1-3-9-4-6-10(7-5-9)11(17)16(2)8-12(13,14)15/h4-7H,3,8H2,1-2H3
InChIKeyPHWVTDIWGVXZBR-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.88
Rot. Bonds3

About 4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 69057682) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID69057682
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCc1ccc(C(=O)N(C)CC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c1-3-9-4-6-10(7-5-9)11(17)16(2)8-12(13,14)15/h4-7H,3,8H2,1-2H3
InChIKeyPHWVTDIWGVXZBR-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
4-[[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]benzoic acid
CID 61206238
3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893102
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79600380

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 69057682) is 4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is CCc1ccc(C(=O)N(C)CC(F)(F)F)cc1.
What is the InChIKey of 4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PHWVTDIWGVXZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-9-4-6-10(7-5-9)11(17)16(2)8-12(13,14)15/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 245.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 69057682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).