2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide

C13H13F2NO — CID 104581240

IUPAC2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H13F2NO/c1-2-3-4-7-16-13(17)8-10-5-6-11(14)9-12(10)15/h5-6,9H,4,7-8H2,1H3,(H,16,17)
InChIKeyWBRDBTJAHVBOPJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.04
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide

2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide (PubChem CID 104581240) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide
PubChem CID104581240
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H13F2NO/c1-2-3-4-7-16-13(17)8-10-5-6-11(14)9-12(10)15/h5-6,9H,4,7-8H2,1H3,(H,16,17)
InChIKeyWBRDBTJAHVBOPJ-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2,5-difluoro-N-pent-3-ynylbenzamide
CID 115977378
N-[(2,5-difluorophenyl)methyl]pent-3-yn-1-amine
CID 104806918
2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 115977176
2-(2-chlorophenyl)-N-pent-3-ynylacetamide
CID 115977322
N-(2-amino-2-methylpropyl)-2-(2,4-difluorophenyl)acetamide;hydrochloride
CID 119629495
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
1-cyano-N-[(2,4-difluorophenyl)methyl]formamide
CID 115172177
2-(4-methoxyphenyl)-N-pent-3-ynylacetamide
CID 115977208
2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 62228874
2,5-difluoro-N-pent-3-ynylbenzenesulfonamide
CID 115977957

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide (CID 104581240) is 2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide is CC#CCCNC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide?
The InChIKey is WBRDBTJAHVBOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-2-3-4-7-16-13(17)8-10-5-6-11(14)9-12(10)15/h5-6,9H,4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide?
2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide has a molecular weight of 237.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide is sourced from PubChem (CID 104581240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).