N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide

C16H14F2N2O3 — CID 166386917

IUPACN-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccccc1C(=O)C(=O)NCC(F)(F)c1ccccn1
InChIInChI=1S/C16H14F2N2O3/c1-23-12-7-3-2-6-11(12)14(21)15(22)20-10-16(17,18)13-8-4-5-9-19-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyHURIYQTUXJYRNS-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.18
Rot. Bonds6

About N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide

N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide (PubChem CID 166386917) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide
PubChem CID166386917
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccccc1C(=O)C(=O)NCC(F)(F)c1ccccn1
InChIInChI=1S/C16H14F2N2O3/c1-23-12-7-3-2-6-11(12)14(21)15(22)20-10-16(17,18)13-8-4-5-9-19-13/h2-9H,10H2,1H3,(H,20,22)
InChIKeyHURIYQTUXJYRNS-UHFFFAOYSA-N
XLogP2.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide
CID 94262563
1-[3-methoxy-2-(2-pyridin-2-ylpropan-2-yloxy)phenyl]ethanone
CID 117052429
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
3-methoxy-4-(2-pyridin-2-ylpropan-2-yloxy)benzoic acid
CID 117053458
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-(1,1-difluoropropyl)pyridine
CID 59088790
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
1-(2-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 90371171
N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
CID 94283969
N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
CID 104857991
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-2-oxoacetamide
CID 113097646
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide (CID 166386917) is N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide is COc1ccccc1C(=O)C(=O)NCC(F)(F)c1ccccn1.
What is the InChIKey of N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide?
The InChIKey is HURIYQTUXJYRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-23-12-7-3-2-6-11(12)14(21)15(22)20-10-16(17,18)13-8-4-5-9-19-13/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide?
N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide has a molecular weight of 320.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-(2-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 166386917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).