2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C16H11BrClN3O2S — CID 92546675

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H11BrClN3O2S/c17-11-6-7-13(12(18)8-11)23-9-14(22)19-16-21-20-15(24-16)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,21,22)
InChIKeyMGEDFDSVXNPUAY-UHFFFAOYSA-N
MW424.71 g/mol
LogP4.64
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 92546675) has the molecular formula C16H11BrClN3O2S and a molecular weight of 424.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID92546675
Molecular FormulaC16H11BrClN3O2S
Molecular Weight424.71 g/mol
Exact Mass422.94
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H11BrClN3O2S/c17-11-6-7-13(12(18)8-11)23-9-14(22)19-16-21-20-15(24-16)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,21,22)
InChIKeyMGEDFDSVXNPUAY-UHFFFAOYSA-N
XLogP4.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.71
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100535229
2-(4-bromo-2-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 2234948
2-(4-bromo-2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 833175
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 16813800
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
4-(4-bromo-2-chlorophenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 108766413
3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 55510042
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1307564
2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19171299
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 92546675) is 2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccc(Br)cc1Cl)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is MGEDFDSVXNPUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3O2S/c17-11-6-7-13(12(18)8-11)23-9-14(22)19-16-21-20-15(24-16)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,21,22).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 424.71 g/mol, XLogP of 4.64, 5 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-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 92546675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).