N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide

C17H17F2N3O2 — CID 108963792

IUPACN-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H17F2N3O2/c1-17(2,15(23)21-10-11-6-8-20-9-7-11)16(24)22-14-12(18)4-3-5-13(14)19/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGFZUXUAPIQRLSR-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.64
Rot. Bonds5

About N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide

N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108963792) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
PubChem CID108963792
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H17F2N3O2/c1-17(2,15(23)21-10-11-6-8-20-9-7-11)16(24)22-14-12(18)4-3-5-13(14)19/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGFZUXUAPIQRLSR-UHFFFAOYSA-N
XLogP2.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963768
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689
N-(3-bromophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963762
2,2-dimethyl-N-(pyridin-4-ylmethyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108963741
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963751
1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137322
2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385
2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963759
N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962082

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide (CID 108963792) is N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide is CC(C)(C(=O)NCc1ccncc1)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is GFZUXUAPIQRLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-17(2,15(23)21-10-11-6-8-20-9-7-11)16(24)22-14-12(18)4-3-5-13(14)19/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide?
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 333.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108963792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).