N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide

C18H19FN2O3 — CID 108954759

IUPACN'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C18H19FN2O3/c1-12(2)24-16-10-6-5-9-15(16)21-18(23)11-17(22)20-14-8-4-3-7-13(14)19/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAKWLAMDAJOSAKL-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.58
Rot. Bonds6

About N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide

N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108954759) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108954759
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C18H19FN2O3/c1-12(2)24-16-10-6-5-9-15(16)21-18(23)11-17(22)20-14-8-4-3-7-13(14)19/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyAKWLAMDAJOSAKL-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108955874
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108951934
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955569

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide (CID 108954759) is N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is AKWLAMDAJOSAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12(2)24-16-10-6-5-9-15(16)21-18(23)11-17(22)20-14-8-4-3-7-13(14)19/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide?
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 330.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108954759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).