2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide

C12H14Br2N2O3 — CID 2632577

IUPAC2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C12H14Br2N2O3/c1-7(2)15-12(18)16-11(17)6-19-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18)
InChIKeyDXUSESKZVPFYSV-UHFFFAOYSA-N
MW394.06 g/mol
LogP2.82
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide

2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 2632577) has the molecular formula C12H14Br2N2O3 and a molecular weight of 394.06 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID2632577
Molecular FormulaC12H14Br2N2O3
Molecular Weight394.06 g/mol
Exact Mass391.94
IUPAC Name2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C12H14Br2N2O3/c1-7(2)15-12(18)16-11(17)6-19-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18)
InChIKeyDXUSESKZVPFYSV-UHFFFAOYSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
CID 2523046
1-[2-(4-Bromophenoxy)acetyl]imidazolidin-2-one
CID 5299798
1-[2-(2-Bromophenoxy)acetyl]imidazolidin-2-one
CID 9466285
2-(2-bromophenoxy)-N-cyclopentylacetamide
CID 729424
N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
CID 2632575
N-(cyclopentylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
CID 2632678
N-cyclopentyl-2-(2,4-dibromophenoxy)acetamide
CID 2632827
2-(2-bromophenoxy)-N-(cyclopentylcarbamoyl)acetamide
CID 7847650
2-(2,4-dibromophenoxy)-N-(ethylcarbamoyl)propanamide
CID 16196796
2-(4-bromophenoxy)-N-cyclopropylacetamide
CID 2631886
2-(2-bromophenoxy)-N-cyclopropylacetamide
CID 7847693
N-[2-(4-bromophenoxy)ethyl]acetamide
CID 16762877

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide (CID 2632577) is 2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is DXUSESKZVPFYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O3/c1-7(2)15-12(18)16-11(17)6-19-10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide?
2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 394.06 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 2632577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).