3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide

C19H19ClF3NO3 — CID 29456589

IUPAC3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C19H19ClF3NO3/c1-26-10-11-27-17-8-7-14(19(21,22)23)12-16(17)24-18(25)9-6-13-4-2-3-5-15(13)20/h2-5,7-8,12H,6,9-11H2,1H3,(H,24,25)
InChIKeyRHYVTFRIBBEWDG-UHFFFAOYSA-N
MW401.81 g/mol
LogP4.96
Rot. Bonds8

About 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide

3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 29456589) has the molecular formula C19H19ClF3NO3 and a molecular weight of 401.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID29456589
Molecular FormulaC19H19ClF3NO3
Molecular Weight401.81 g/mol
Exact Mass401.10
IUPAC Name3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccccc1Cl
InChIInChI=1S/C19H19ClF3NO3/c1-26-10-11-27-17-8-7-14(19(21,22)23)12-16(17)24-18(25)9-6-13-4-2-3-5-15(13)20/h2-5,7-8,12H,6,9-11H2,1H3,(H,24,25)
InChIKeyRHYVTFRIBBEWDG-UHFFFAOYSA-N
XLogP4.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide 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

2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
3-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33370497
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789582
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 4831951
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
3-(4-fluorophenyl)sulfanyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
CID 112765270
4-bromo-N-[3-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 26177457
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 60604524
N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide
CID 47085536
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
CID 17179095

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide (CID 29456589) is 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RHYVTFRIBBEWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO3/c1-26-10-11-27-17-8-7-14(19(21,22)23)12-16(17)24-18(25)9-6-13-4-2-3-5-15(13)20/h2-5,7-8,12H,6,9-11H2,1H3,(H,24,25).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide?
3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 401.81 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 29456589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).