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

C10H8BrClN4O2 — CID 2234820

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nn1cnnc1
InChIInChI=1S/C10H8BrClN4O2/c11-7-1-2-9(8(12)3-7)18-4-10(17)15-16-5-13-14-6-16/h1-3,5-6H,4H2,(H,15,17)
InChIKeyVAWPGILFSUZGKH-UHFFFAOYSA-N
MW331.56 g/mol
LogP1.84
Rot. Bonds4

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

2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 2234820) has the molecular formula C10H8BrClN4O2 and a molecular weight of 331.56 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID2234820
Molecular FormulaC10H8BrClN4O2
Molecular Weight331.56 g/mol
Exact Mass329.95
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nn1cnnc1
InChIInChI=1S/C10H8BrClN4O2/c11-7-1-2-9(8(12)3-7)18-4-10(17)15-16-5-13-14-6-16/h1-3,5-6H,4H2,(H,15,17)
InChIKeyVAWPGILFSUZGKH-UHFFFAOYSA-N
XLogP1.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.56
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 885757
2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
CID 772311
2-(2,4-dichlorophenoxy)-N-(4H-1,2,4-triazol-4-yl)propanamide
CID 3506212
2-(2-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 698936
4-[(4-bromo-2-chlorophenoxy)acetyl]-4H-1,2,4-triazol-3-amine
CID 705693
1-(3-Amino-1,2,4-triazol-4-yl)-2-(2-bromo-4-chlorophenoxy)ethanone
CID 17369181
2-(3-chloro-4-fluorophenoxy)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 2970363
2-(2-bromo-4-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 965226
2-(4-bromophenoxy)-N-(4H-1,2,4-triazol-4-yl)propanamide
CID 2953549
2-(4-Chlorophenoxy)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 588068
2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
CID 4454060
(2R)-2-(3-chlorophenoxy)-N-(1,2,4-triazol-4-yl)propanamide
CID 903170

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide (CID 2234820) is 2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide is O=C(COc1ccc(Br)cc1Cl)Nn1cnnc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is VAWPGILFSUZGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O2/c11-7-1-2-9(8(12)3-7)18-4-10(17)15-16-5-13-14-6-16/h1-3,5-6H,4H2,(H,15,17).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 331.56 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 2234820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).