2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C12H12BrClN4O2 — CID 103725921

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(Br)cc1Cl)c1ncn[nH]1
InChIInChI=1S/C12H12BrClN4O2/c1-7(12-15-6-16-18-12)17-11(19)5-20-10-3-2-8(13)4-9(10)14/h2-4,6-7H,5H2,1H3,(H,17,19)(H,15,16,18)
InChIKeyOCXVCCVVMRWVJD-UHFFFAOYSA-N
MW359.61 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 103725921) has the molecular formula C12H12BrClN4O2 and a molecular weight of 359.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID103725921
Molecular FormulaC12H12BrClN4O2
Molecular Weight359.61 g/mol
Exact Mass357.98
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(Br)cc1Cl)c1ncn[nH]1
InChIInChI=1S/C12H12BrClN4O2/c1-7(12-15-6-16-18-12)17-11(19)5-20-10-3-2-8(13)4-9(10)14/h2-4,6-7H,5H2,1H3,(H,17,19)(H,15,16,18)
InChIKeyOCXVCCVVMRWVJD-UHFFFAOYSA-N
XLogP2.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.61
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593026
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263709
2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 2971113
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
2-(2-ethoxyphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716236
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
methyl (2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277942
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-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 2970318
2-(2,6-dimethylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716567

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 103725921) is 2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is CC(NC(=O)COc1ccc(Br)cc1Cl)c1ncn[nH]1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is OCXVCCVVMRWVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O2/c1-7(12-15-6-16-18-12)17-11(19)5-20-10-3-2-8(13)4-9(10)14/h2-4,6-7H,5H2,1H3,(H,17,19)(H,15,16,18).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 359.61 g/mol, XLogP of 2.48, 5 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-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 103725921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).