2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide

C12H11F2NO2 — CID 78808200

IUPAC2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H11F2NO2/c1-2-7-15-11(16)8-9-3-5-10(6-4-9)17-12(13)14/h1,3-6,12H,7-8H2,(H,15,16)
InChIKeyOVKWTZDLPMZXGT-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.58
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide

2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide (PubChem CID 78808200) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide
PubChem CID78808200
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H11F2NO2/c1-2-7-15-11(16)8-9-3-5-10(6-4-9)17-12(13)14/h1,3-6,12H,7-8H2,(H,15,16)
InChIKeyOVKWTZDLPMZXGT-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.58
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-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109978
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
CID 8830778
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770980
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
2-[4-(difluoromethoxy)phenyl]-N-(5-hydroxypentyl)acetamide
CID 107318607
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 33280716
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide (CID 78808200) is 2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide is C#CCNC(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide?
The InChIKey is OVKWTZDLPMZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-2-7-15-11(16)8-9-3-5-10(6-4-9)17-12(13)14/h1,3-6,12H,7-8H2,(H,15,16).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide?
2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide has a molecular weight of 239.22 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 78808200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).