N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide

C13H16Br2N2O3 — CID 2632575

IUPACN-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N2O3/c1-13(2,3)17-12(19)16-11(18)7-20-10-5-4-8(14)6-9(10)15/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyQSMNMGLAKWUCTJ-UHFFFAOYSA-N
MW408.09 g/mol
LogP3.21
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide

N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide (PubChem CID 2632575) has the molecular formula C13H16Br2N2O3 and a molecular weight of 408.09 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
PubChem CID2632575
Molecular FormulaC13H16Br2N2O3
Molecular Weight408.09 g/mol
Exact Mass405.95
IUPAC NameN-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N2O3/c1-13(2,3)17-12(19)16-11(18)7-20-10-5-4-8(14)6-9(10)15/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyQSMNMGLAKWUCTJ-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.09
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide
CID 2632577
N-(cyclopentylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
CID 2632678
2-(2-bromophenoxy)-N-(cyclopentylcarbamoyl)acetamide
CID 7847650
2-(2,4-dibromophenoxy)-N-(ethylcarbamoyl)propanamide
CID 16196796
2-(2-bromophenoxy)-N-(1-cyano-2-methoxy-1-methylethyl)acetamide
CID 75436552
2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide
CID 2112829
2-(2-bromophenoxy)-N-carbamoylacetamide
CID 4791270
2-(2,4-Dibromophenoxy)acetamide
CID 360014
2-(2,4-dibromophenoxy)-N-ethylacetamide
CID 360019
2-(4-bromophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7815599
2-(4-bromophenoxy)-N-carbamoylacetamide
CID 7815609
2-(2,6-dibromophenoxy)-N-methylacetamide
CID 47081894

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide (CID 2632575) is N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide is CC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide?
The InChIKey is QSMNMGLAKWUCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O3/c1-13(2,3)17-12(19)16-11(18)7-20-10-5-4-8(14)6-9(10)15/h4-6H,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide?
N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide has a molecular weight of 408.09 g/mol, XLogP of 3.21, 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-(2,4-dibromophenoxy)acetamide is sourced from PubChem (CID 2632575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).