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

C15H17F2NO2 — CID 90577630

IUPACN-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide
SMILESCCCCC(=O)NCC#CCOc1ccc(F)cc1F
InChIInChI=1S/C15H17F2NO2/c1-2-3-6-15(19)18-9-4-5-10-20-14-8-7-12(16)11-13(14)17/h7-8,11H,2-3,6,9-10H2,1H3,(H,18,19)
InChIKeyKXCMGDNKWMMGMD-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.65
Rot. Bonds6

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

N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide (PubChem CID 90577630) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide
PubChem CID90577630
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC NameN-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide
SMILESCCCCC(=O)NCC#CCOc1ccc(F)cc1F
InChIInChI=1S/C15H17F2NO2/c1-2-3-6-15(19)18-9-4-5-10-20-14-8-7-12(16)11-13(14)17/h7-8,11H,2-3,6,9-10H2,1H3,(H,18,19)
InChIKeyKXCMGDNKWMMGMD-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
CID 90577651
3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
CID 90577641
N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
CID 90575522
ethyl 2-[4-(2,4-difluorophenoxy)but-2-ynylamino]-2-oxoacetate
CID 90577648
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90577778
4-bromo-N-[4-(2-fluorophenoxy)but-2-ynyl]butanamide
CID 90574526
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-3,5-dimethylbenzamide
CID 90577659
2-cyclopentylsulfanyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]acetamide
CID 90577572
4-bromo-N-[4-(2,4-difluorophenoxy)but-2-ynyl]benzamide
CID 90577685
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90577812
N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
CID 90579647
N-[4-(2,4-difluorophenoxy)but-2-ynyl]methanesulfonamide
CID 90577892

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide (CID 90577630) is N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide is CCCCC(=O)NCC#CCOc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide?
The InChIKey is KXCMGDNKWMMGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c1-2-3-6-15(19)18-9-4-5-10-20-14-8-7-12(16)11-13(14)17/h7-8,11H,2-3,6,9-10H2,1H3,(H,18,19).
What are the key properties of N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide?
N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide has a molecular weight of 281.30 g/mol, XLogP of 2.65, 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]pentanamide is sourced from PubChem (CID 90577630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).