N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide

C18H17F3N2O2 — CID 134803671

IUPACN-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O2/c1-12(24)22-9-10-23-17(25)14-7-5-13(6-8-14)15-3-2-4-16(11-15)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyLLRGOLVFKDOLEZ-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.24
Rot. Bonds5

About N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide

N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 134803671) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID134803671
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O2/c1-12(24)22-9-10-23-17(25)14-7-5-13(6-8-14)15-3-2-4-16(11-15)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyLLRGOLVFKDOLEZ-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate
CID 134800899
CID 134803729
CID 134803729
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 91058519
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 146409402
2-methyl-2-[2-methyl-4-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]phenoxy]propanoic acid
CID 69346249
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide (CID 134803671) is N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide is CC(=O)NCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LLRGOLVFKDOLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12(24)22-9-10-23-17(25)14-7-5-13(6-8-14)15-3-2-4-16(11-15)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?
N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 134803671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).