N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide

C13H16Cl2N2O3 — CID 2706528

IUPACN-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-13(2,3)17-12(19)16-11(18)7-20-8-4-5-9(14)10(15)6-8/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyYXHLBBACNQFKGO-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.00
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide

N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide (PubChem CID 2706528) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide
PubChem CID2706528
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC NameN-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-13(2,3)17-12(19)16-11(18)7-20-8-4-5-9(14)10(15)6-8/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyYXHLBBACNQFKGO-UHFFFAOYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide (CID 2706528) is N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide is CC(C)(C)NC(=O)NC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide?
The InChIKey is YXHLBBACNQFKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-13(2,3)17-12(19)16-11(18)7-20-8-4-5-9(14)10(15)6-8/h4-6H,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide?
N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide has a molecular weight of 319.19 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(3,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 2706528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).