4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide

C19H21F2NO2 — CID 113102340

IUPAC4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCOc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H21F2NO2/c1-19(2,3)14-6-4-13(5-7-14)18(23)22-10-11-24-17-9-8-15(20)12-16(17)21/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKeyRSMBFWWKIVQGRK-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.07
Rot. Bonds5

About 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide

4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide (PubChem CID 113102340) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide
PubChem CID113102340
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCOc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H21F2NO2/c1-19(2,3)14-6-4-13(5-7-14)18(23)22-10-11-24-17-9-8-15(20)12-16(17)21/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKeyRSMBFWWKIVQGRK-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]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

N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
4-tert-butyl-N-[2-(3,4-dimethylphenoxy)ethyl]benzamide
CID 2225637
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
CID 111337429
1-[2-(2,4-difluorophenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480845
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112976199
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
4-bromo-N-[4-(2,4-difluorophenoxy)but-2-ynyl]benzamide
CID 90577685

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide (CID 113102340) is 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCOc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide?
The InChIKey is RSMBFWWKIVQGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-19(2,3)14-6-4-13(5-7-14)18(23)22-10-11-24-17-9-8-15(20)12-16(17)21/h4-9,12H,10-11H2,1-3H3,(H,22,23).
What are the key properties of 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide?
4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide has a molecular weight of 333.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide is sourced from PubChem (CID 113102340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).