N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide

C19H20F2N2O4 — CID 108969640

IUPACN-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)(C)C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C19H20F2N2O4/c1-19(2,18(25)23-16-12(20)6-5-7-13(16)21)17(24)22-14-10-11(26-3)8-9-15(14)27-4/h5-10H,1-4H3,(H,22,24)(H,23,25)
InChIKeyPEBWBDPHQGGSBA-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.59
Rot. Bonds6

About N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide

N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108969640) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108969640
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC NameN-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)(C)C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C19H20F2N2O4/c1-19(2,18(25)23-16-12(20)6-5-7-13(16)21)17(24)22-14-10-11(26-3)8-9-15(14)27-4/h5-10H,1-4H3,(H,22,24)(H,23,25)
InChIKeyPEBWBDPHQGGSBA-UHFFFAOYSA-N
XLogP3.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962476
3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919718
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963881
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958853
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966884
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526
N-(5-chloro-2-methoxyphenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108502213
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide (CID 108969640) is N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide is COc1ccc(OC)c(NC(=O)C(C)(C)C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is PEBWBDPHQGGSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-19(2,18(25)23-16-12(20)6-5-7-13(16)21)17(24)22-14-10-11(26-3)8-9-15(14)27-4/h5-10H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide?
N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 378.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).