2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide

C20H17F2NO2 — CID 90576964

IUPAC2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
SMILESC=CCc1ccccc1OCC#CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H17F2NO2/c1-2-7-15-8-3-4-9-19(15)25-13-6-5-12-23-20(24)17-11-10-16(21)14-18(17)22/h2-4,8-11,14H,1,7,12-13H2,(H,23,24)
InChIKeyXINWDXWKWHWHBQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.51
Rot. Bonds6

About 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide

2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide (PubChem CID 90576964) has the molecular formula C20H17F2NO2 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
PubChem CID90576964
Molecular FormulaC20H17F2NO2
Molecular Weight341.36 g/mol
Exact Mass341.12
IUPAC Name2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
SMILESC=CCc1ccccc1OCC#CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H17F2NO2/c1-2-7-15-8-3-4-9-19(15)25-13-6-5-12-23-20(24)17-11-10-16(21)14-18(17)22/h2-4,8-11,14H,1,7,12-13H2,(H,23,24)
InChIKeyXINWDXWKWHWHBQ-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]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

4-fluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576870
3,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576879
2-iodo-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576877
2-phenoxy-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 121131573
1-(2-fluorophenyl)-3-[4-(2-prop-2-enylphenoxy)but-2-ynyl]urea
CID 90577073
2-nitro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576885
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90576897
1-methyl-2-oxo-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]pyridine-3-carboxamide
CID 90576778
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide
CID 90576758
4,5-dimethoxy-2-nitro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576956
2-(4-fluorophenyl)sulfanyl-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]acetamide
CID 90576981
4-ethoxy-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576857

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide (CID 90576964) is 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide is C=CCc1ccccc1OCC#CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide?
The InChIKey is XINWDXWKWHWHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2/c1-2-7-15-8-3-4-9-19(15)25-13-6-5-12-23-20(24)17-11-10-16(21)14-18(17)22/h2-4,8-11,14H,1,7,12-13H2,(H,23,24).
What are the key properties of 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide?
2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide has a molecular weight of 341.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide is sourced from PubChem (CID 90576964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).