N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide

C15H17F2NO3 — CID 109476951

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide
SMILESC#CCOCCC(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2NO3/c1-3-7-21-8-6-14(19)18-10-15(2,20)12-5-4-11(16)9-13(12)17/h1,4-5,9,20H,6-8,10H2,2H3,(H,18,19)
InChIKeyHIYCEJXNZASAFR-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.33
Rot. Bonds7

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide (PubChem CID 109476951) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide
PubChem CID109476951
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide
SMILESC#CCOCCC(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2NO3/c1-3-7-21-8-6-14(19)18-10-15(2,20)12-5-4-11(16)9-13(12)17/h1,4-5,9,20H,6-8,10H2,2H3,(H,18,19)
InChIKeyHIYCEJXNZASAFR-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide
CID 111335375
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide
CID 111335334
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477656
(2S)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methyl-3-methylsulfanylpropanamide
CID 96549103
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132235
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 111335363
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
CID 111335366
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide (CID 109476951) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide is C#CCOCCC(=O)NCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide?
The InChIKey is HIYCEJXNZASAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-3-7-21-8-6-14(19)18-10-15(2,20)12-5-4-11(16)9-13(12)17/h1,4-5,9,20H,6-8,10H2,2H3,(H,18,19).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide has a molecular weight of 297.30 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide is sourced from PubChem (CID 109476951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).