4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

C17H16F3NO2 — CID 134010354

IUPAC4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO2/c1-2-12-3-5-13(6-4-12)16(22)21-14-7-9-15(10-8-14)23-11-17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyXDJZAJAQYUIILA-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.44
Rot. Bonds5

About 4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 134010354) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID134010354
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO2/c1-2-12-3-5-13(6-4-12)16(22)21-14-7-9-15(10-8-14)23-11-17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyXDJZAJAQYUIILA-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 134010368
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
CID 2328696
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide
CID 17468094
4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 31165478
4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474776
4-(oxolan-2-ylmethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 16580872
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 134010354) is 4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is CCc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is XDJZAJAQYUIILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-2-12-3-5-13(6-4-12)16(22)21-14-7-9-15(10-8-14)23-11-17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22).
What are the key properties of 4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 323.31 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 134010354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).