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

C10H8BrClN4O2 — CID 885757

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1ncn[nH]1
InChIInChI=1S/C10H8BrClN4O2/c11-6-1-2-8(7(12)3-6)18-4-9(17)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,17)
InChIKeyLZGQRXVZWADXJB-UHFFFAOYSA-N
MW331.56 g/mol
LogP2.24
Rot. Bonds4

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

2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 885757) has the molecular formula C10H8BrClN4O2 and a molecular weight of 331.56 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID885757
Molecular FormulaC10H8BrClN4O2
Molecular Weight331.56 g/mol
Exact Mass329.95
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1ncn[nH]1
InChIInChI=1S/C10H8BrClN4O2/c11-6-1-2-8(7(12)3-6)18-4-9(17)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,17)
InChIKeyLZGQRXVZWADXJB-UHFFFAOYSA-N
XLogP2.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.56
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, 2-(2,4-dichlorophenoxy)-N-(s-triazol-3-yl)-
CID 99363
2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
CID 772311
2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
CID 2234820
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2953838
2-(2-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 698936
2-(2-bromophenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 682757
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 718673
2-(2-chloro-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865655
2-(3-bromophenoxy)-N-4H-1,2,4-triazol-3-ylacetamide
CID 698938
2-(4-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 703733
4-[(4-bromo-2-chlorophenoxy)acetyl]-4H-1,2,4-triazol-3-amine
CID 705693
2-(2,5-dichlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719082

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 885757) is 2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(COc1ccc(Br)cc1Cl)Nc1ncn[nH]1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is LZGQRXVZWADXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O2/c11-6-1-2-8(7(12)3-6)18-4-9(17)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,17).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 331.56 g/mol, XLogP of 2.24, 4 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-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 885757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).