N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide

C19H20F2N2O2 — CID 108962236

IUPACN-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C19H20F2N2O2/c1-12(13-7-5-4-6-8-13)22-17(24)19(2,3)18(25)23-14-9-10-15(20)16(21)11-14/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyNKPQPCCEJQJNEU-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.81
Rot. Bonds5

About N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide

N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide (PubChem CID 108962236) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
PubChem CID108962236
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
SMILESCC(NC(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C19H20F2N2O2/c1-12(13-7-5-4-6-8-13)22-17(24)19(2,3)18(25)23-14-9-10-15(20)16(21)11-14/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyNKPQPCCEJQJNEU-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.81
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-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962173
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967527
N-(2-tert-butylphenyl)-N'-(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108968655
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
N-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968124
1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962157
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970179
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The IUPAC name of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide (CID 108962236) is N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide is CC(NC(=O)C(C)(C)C(=O)Nc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The InChIKey is NKPQPCCEJQJNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12(13-7-5-4-6-8-13)22-17(24)19(2,3)18(25)23-14-9-10-15(20)16(21)11-14/h4-12H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide has a molecular weight of 346.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide is sourced from PubChem (CID 108962236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).