N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide

C19H20F2N2O2 — CID 108968124

IUPACN-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c1-11-6-5-7-12(2)16(11)23-18(25)19(3,4)17(24)22-13-8-9-14(20)15(21)10-13/h5-10H,1-4H3,(H,22,24)(H,23,25)
InChIKeyFCELMULWEHFBEW-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.19
Rot. Bonds4

About N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide

N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968124) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108968124
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c1-11-6-5-7-12(2)16(11)23-18(25)19(3,4)17(24)22-13-8-9-14(20)15(21)10-13/h5-10H,1-4H3,(H,22,24)(H,23,25)
InChIKeyFCELMULWEHFBEW-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
N-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967527
N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967996
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970179
N-(2-tert-butylphenyl)-N'-(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108968655
N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968527
N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968103
N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968591
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962236
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108968124) is N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide is Cc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is FCELMULWEHFBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-11-6-5-7-12(2)16(11)23-18(25)19(3,4)17(24)22-13-8-9-14(20)15(21)10-13/h5-10H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide?
N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 346.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).