N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide

C19H20F2N2O2 — CID 108962378

IUPACN-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide
SMILESCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O2/c1-19(2,17(24)22-16-14(20)10-7-11-15(16)21)18(25)23(3)12-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyARFFKKGJWGMXRA-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.59
Rot. Bonds5

About N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide

N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide (PubChem CID 108962378) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide
PubChem CID108962378
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide
SMILESCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O2/c1-19(2,17(24)22-16-14(20)10-7-11-15(16)21)18(25)23(3)12-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyARFFKKGJWGMXRA-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide
CID 108962356
N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108962321
N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962380
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676
N-benzyl-N'-[2-(4-chlorophenyl)ethyl]-N,2,2-trimethylpropanediamide
CID 108962265
2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide
CID 82110411
N-benzyl-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 91699922
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655
N-benzyl-N'-(4-chloro-2-methoxy-5-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108962370
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963792
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide?
The IUPAC name of N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide (CID 108962378) is N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide.
What is the SMILES notation for N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide?
The canonical SMILES for N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide is CN(Cc1ccccc1)C(=O)C(C)(C)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide?
The InChIKey is ARFFKKGJWGMXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-19(2,17(24)22-16-14(20)10-7-11-15(16)21)18(25)23(3)12-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide?
N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide has a molecular weight of 346.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide is sourced from PubChem (CID 108962378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).