N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide

C24H19F2NO2 — CID 90577778

IUPACN-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC#CCOc1ccc(F)cc1F
InChIInChI=1S/C24H19F2NO2/c25-21-12-13-23(22(26)17-21)29-15-5-4-14-27-24(28)16-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-13,17H,14-16H2,(H,27,28)
InChIKeyDMVMZCIZAXVRFW-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.37
Rot. Bonds6

About N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide

N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide (PubChem CID 90577778) has the molecular formula C24H19F2NO2 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide
PubChem CID90577778
Molecular FormulaC24H19F2NO2
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC NameN-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC#CCOc1ccc(F)cc1F
InChIInChI=1S/C24H19F2NO2/c25-21-12-13-23(22(26)17-21)29-15-5-4-14-27-24(28)16-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-13,17H,14-16H2,(H,27,28)
InChIKeyDMVMZCIZAXVRFW-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide 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-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90577812
3-chloro-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
CID 90577651
N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide
CID 90577630
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-3,5-dimethylbenzamide
CID 90577659
4-bromo-N-[4-(2,4-difluorophenoxy)but-2-ynyl]benzamide
CID 90577685
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90547954
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90577578
ethyl 2-[4-(2,4-difluorophenoxy)but-2-ynylamino]-2-oxoacetate
CID 90577648
N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide
CID 90574329
3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
CID 90577641
3-cyano-N-[4-(2,4-difluorophenoxy)but-2-ynyl]benzamide
CID 90577816
2-cyclopentylsulfanyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]acetamide
CID 90577572

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide (CID 90577778) is N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCC#CCOc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is DMVMZCIZAXVRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO2/c25-21-12-13-23(22(26)17-21)29-15-5-4-14-27-24(28)16-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-13,17H,14-16H2,(H,27,28).
What are the key properties of N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide?
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 391.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 90577778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).