2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide

C13H16BrClN2O4 — CID 112779251

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
SMILESCOCC(C)NC(=O)NC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O4/c1-8(6-20-2)16-13(19)17-12(18)7-21-11-4-3-9(14)5-10(11)15/h3-5,8H,6-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyYHZQZUBYMMSQBH-UHFFFAOYSA-N
MW379.64 g/mol
LogP2.34
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide (PubChem CID 112779251) has the molecular formula C13H16BrClN2O4 and a molecular weight of 379.64 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
PubChem CID112779251
Molecular FormulaC13H16BrClN2O4
Molecular Weight379.64 g/mol
Exact Mass378.00
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
SMILESCOCC(C)NC(=O)NC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O4/c1-8(6-20-2)16-13(19)17-12(18)7-21-11-4-3-9(14)5-10(11)15/h3-5,8H,6-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyYHZQZUBYMMSQBH-UHFFFAOYSA-N
XLogP2.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62379921
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
methyl (2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277942
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62392944
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide (CID 112779251) is 2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide is COCC(C)NC(=O)NC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide?
The InChIKey is YHZQZUBYMMSQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O4/c1-8(6-20-2)16-13(19)17-12(18)7-21-11-4-3-9(14)5-10(11)15/h3-5,8H,6-7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide has a molecular weight of 379.64 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 112779251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).