N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide

C18H18F2N2O — CID 112534892

IUPACN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide
SMILESCC1CC1(CNC(=O)Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O/c1-12-10-18(12,15-6-5-13(19)8-16(15)20)11-22-17(23)9-14-4-2-3-7-21-14/h2-8,12H,9-11H2,1H3,(H,22,23)
InChIKeySHJPWTQWNHQANT-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.00
Rot. Bonds5

About N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide

N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide (PubChem CID 112534892) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide
PubChem CID112534892
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide
SMILESCC1CC1(CNC(=O)Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O/c1-12-10-18(12,15-6-5-13(19)8-16(15)20)11-22-17(23)9-14-4-2-3-7-21-14/h2-8,12H,9-11H2,1H3,(H,22,23)
InChIKeySHJPWTQWNHQANT-UHFFFAOYSA-N
XLogP3.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 30850480
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-pyridin-2-ylacetamide
CID 106102914
N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 84580122
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide
CID 112534951
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
cis-(1R,2S)-2-(3-fluorophenyl)-N'-(2-pyridin-2-ylacetyl)cyclopropane-1-carbohydrazide
CID 98586288
N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide
CID 62658246
N-(2,2-difluoro-3-hydroxypropyl)-2-pyridin-2-ylacetamide
CID 106168483
1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one
CID 105373164

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide (CID 112534892) is N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide is CC1CC1(CNC(=O)Cc1ccccn1)c1ccc(F)cc1F.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide?
The InChIKey is SHJPWTQWNHQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-12-10-18(12,15-6-5-13(19)8-16(15)20)11-22-17(23)9-14-4-2-3-7-21-14/h2-8,12H,9-11H2,1H3,(H,22,23).
What are the key properties of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide?
N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide has a molecular weight of 316.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 112534892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).