2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide

C12H14BrClN2O3 — CID 5210911

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClN2O3/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17,18)
InChIKeyJQGPPWCDNSMCNY-UHFFFAOYSA-N
MW349.61 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide (PubChem CID 5210911) has the molecular formula C12H14BrClN2O3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
PubChem CID5210911
Molecular FormulaC12H14BrClN2O3
Molecular Weight349.61 g/mol
Exact Mass347.99
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H14BrClN2O3/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17,18)
InChIKeyJQGPPWCDNSMCNY-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide
CID 2522978
2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119434089
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
CID 112779251
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethylcarbamoyl)acetamide
CID 27396145
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide
CID 54792058
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
5-iodo-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]benzoic acid
CID 78909446
2-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]methyl]pentanoic acid
CID 65218369
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide (CID 5210911) is 2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide?
The InChIKey is JQGPPWCDNSMCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O3/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide has a molecular weight of 349.61 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 5210911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).