N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide

C18H15F2NO3 — CID 59790309

IUPACN-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C#Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C18H15F2NO3/c1-23-12-17(22)21-15-4-2-3-14(11-15)6-5-13-7-9-16(10-8-13)24-18(19)20/h2-4,7-11,18H,12H2,1H3,(H,21,22)
InChIKeyYWABEPWDMWYVBJ-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.27
Rot. Bonds5

About N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide

N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide (PubChem CID 59790309) has the molecular formula C18H15F2NO3 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide
PubChem CID59790309
Molecular FormulaC18H15F2NO3
Molecular Weight331.32 g/mol
Exact Mass331.10
IUPAC NameN-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C#Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C18H15F2NO3/c1-23-12-17(22)21-15-4-2-3-14(11-15)6-5-13-7-9-16(10-8-13)24-18(19)20/h2-4,7-11,18H,12H2,1H3,(H,21,22)
InChIKeyYWABEPWDMWYVBJ-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]ethanesulfonamide
CID 59790328
1-(3-anilinophenyl)-2-[4-(difluoromethoxy)phenyl]ethane-1,2-dione;3-[2-[4-(difluoromethoxy)phenyl]ethynyl]-N-phenylaniline
CID 161144500
N-[3-[(4S)-2-amino-4-[4-(difluoromethoxy)phenyl]-5-oxo-1H-imidazol-4-yl]phenyl]-2-methoxyacetamide
CID 70822475
methyl 3-[2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18288418
N-[4-(difluoromethoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 2323436
[2-(3-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612551
methyl 3-[2-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18290502
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893735
N-[3-[3-(4-chlorophenyl)prop-2-ynylamino]phenyl]-2-methoxyacetamide
CID 84586430
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7644489
N-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713910

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide (CID 59790309) is N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(C#Cc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide?
The InChIKey is YWABEPWDMWYVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3/c1-23-12-17(22)21-15-4-2-3-14(11-15)6-5-13-7-9-16(10-8-13)24-18(19)20/h2-4,7-11,18H,12H2,1H3,(H,21,22).
What are the key properties of N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide?
N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide has a molecular weight of 331.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 59790309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).