2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide

C13H16BrClN2O3 — CID 9289898

IUPAC2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O3/c1-8(2)17-12(18)6-16-13(19)7-20-11-4-3-9(14)5-10(11)15/h3-5,8H,6-7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPJUHWKMRKMPLSV-UHFFFAOYSA-N
MW363.64 g/mol
LogP2.12
Rot. Bonds6

About 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide

2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 9289898) has the molecular formula C13H16BrClN2O3 and a molecular weight of 363.64 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
PubChem CID9289898
Molecular FormulaC13H16BrClN2O3
Molecular Weight363.64 g/mol
Exact Mass362.00
IUPAC Name2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O3/c1-8(2)17-12(18)6-16-13(19)7-20-11-4-3-9(14)5-10(11)15/h3-5,8H,6-7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPJUHWKMRKMPLSV-UHFFFAOYSA-N
XLogP2.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 81064088
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16528162
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7809627
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
(2S)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833666
2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119434089
methyl (2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277942
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide (CID 9289898) is 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is PJUHWKMRKMPLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O3/c1-8(2)17-12(18)6-16-13(19)7-20-11-4-3-9(14)5-10(11)15/h3-5,8H,6-7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 363.64 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9289898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).