2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C11H9ClFN3O2S — CID 42033743

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)COc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C11H9ClFN3O2S/c1-6-15-16-11(19-6)14-10(17)5-18-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H,14,16,17)
InChIKeyZRPKNNOPDSYGPG-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.66
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 42033743) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID42033743
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)COc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C11H9ClFN3O2S/c1-6-15-16-11(19-6)14-10(17)5-18-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H,14,16,17)
InChIKeyZRPKNNOPDSYGPG-UHFFFAOYSA-N
XLogP2.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63880194
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 38228993
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26210021
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 134002158
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
2-(4-chloro-3-methylphenoxy)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3324213

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 42033743) is 2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)COc2ccc(F)c(Cl)c2)s1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZRPKNNOPDSYGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c1-6-15-16-11(19-6)14-10(17)5-18-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H,14,16,17).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 301.73 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 42033743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).