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

C18H19ClN2O3 — CID 108954883

IUPACN'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/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)
InChIKeyWFDJGYXDRCFBSJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.09
Rot. Bonds6

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

N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108954883) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108954883
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/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)
InChIKeyWFDJGYXDRCFBSJ-UHFFFAOYSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.09
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-chlorophenyl)methyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108946630
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54812884
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108955874
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
N-(2-chlorophenyl)-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155382
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide (CID 108954883) is N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is WFDJGYXDRCFBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/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-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide?
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 346.81 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108954883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).