3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide

C19H23F2NO2 — CID 90577641

IUPAC3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
SMILESO=C(CCC1CCCCC1)NCC#CCOc1ccc(F)cc1F
InChIInChI=1S/C19H23F2NO2/c20-16-9-10-18(17(21)14-16)24-13-5-4-12-22-19(23)11-8-15-6-2-1-3-7-15/h9-10,14-15H,1-3,6-8,11-13H2,(H,22,23)
InChIKeyYBRGXHXAQMBMSM-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.82
Rot. Bonds6

About 3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide

3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide (PubChem CID 90577641) has the molecular formula C19H23F2NO2 and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
PubChem CID90577641
Molecular FormulaC19H23F2NO2
Molecular Weight335.39 g/mol
Exact Mass335.17
IUPAC Name3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
SMILESO=C(CCC1CCCCC1)NCC#CCOc1ccc(F)cc1F
InChIInChI=1S/C19H23F2NO2/c20-16-9-10-18(17(21)14-16)24-13-5-4-12-22-19(23)11-8-15-6-2-1-3-7-15/h9-10,14-15H,1-3,6-8,11-13H2,(H,22,23)
InChIKeyYBRGXHXAQMBMSM-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.82
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

2-cyclopentylsulfanyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]acetamide
CID 90577572
3-chloro-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
CID 90577651
N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide
CID 90577630
3-cyclohexyl-N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]propanamide
CID 90578437
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide
CID 90577231
1-acetyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]piperidine-4-carboxamide
CID 90577622
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90577778
ethyl 2-[4-(2,4-difluorophenoxy)but-2-ynylamino]-2-oxoacetate
CID 90577648
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-3,5-dimethylbenzamide
CID 90577659
2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575527
4-bromo-N-[4-(2,4-difluorophenoxy)but-2-ynyl]benzamide
CID 90577685
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide (CID 90577641) is 3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide is O=C(CCC1CCCCC1)NCC#CCOc1ccc(F)cc1F.
What is the InChIKey of 3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide?
The InChIKey is YBRGXHXAQMBMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO2/c20-16-9-10-18(17(21)14-16)24-13-5-4-12-22-19(23)11-8-15-6-2-1-3-7-15/h9-10,14-15H,1-3,6-8,11-13H2,(H,22,23).
What are the key properties of 3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide?
3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide has a molecular weight of 335.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide is sourced from PubChem (CID 90577641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).