N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide

C18H18F2N2O2 — CID 108954413

IUPACN'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccc(NC(=O)CC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C18H18F2N2O2/c1-11(2)12-6-8-13(9-7-12)21-16(23)10-17(24)22-18-14(19)4-3-5-15(18)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMFYSFPHSCOHUIU-UHFFFAOYSA-N
MW332.35 g/mol
LogP4.06
Rot. Bonds5

About N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide

N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide (PubChem CID 108954413) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
PubChem CID108954413
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
SMILESCC(C)c1ccc(NC(=O)CC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C18H18F2N2O2/c1-11(2)12-6-8-13(9-7-12)21-16(23)10-17(24)22-18-14(19)4-3-5-15(18)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMFYSFPHSCOHUIU-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 54.06
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-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108948278
N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956121
N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide
CID 108953753
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253301
2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22307564
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729153
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide (CID 108954413) is N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide is CC(C)c1ccc(NC(=O)CC(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide?
The InChIKey is MFYSFPHSCOHUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-11(2)12-6-8-13(9-7-12)21-16(23)10-17(24)22-18-14(19)4-3-5-15(18)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide?
N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide has a molecular weight of 332.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108954413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).