2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide

C15H15ClFN3O3 — CID 167268053

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide
SMILESC=C(CCNC(=O)COc1ccc(Cl)c(F)c1)c1nnc(C)o1
InChIInChI=1S/C15H15ClFN3O3/c1-9(15-20-19-10(2)23-15)5-6-18-14(21)8-22-11-3-4-12(16)13(17)7-11/h3-4,7H,1,5-6,8H2,2H3,(H,18,21)
InChIKeyPUJBUEGKZHKSIB-UHFFFAOYSA-N
MW339.75 g/mol
LogP2.77
Rot. Bonds7

About 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide (PubChem CID 167268053) has the molecular formula C15H15ClFN3O3 and a molecular weight of 339.75 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide
PubChem CID167268053
Molecular FormulaC15H15ClFN3O3
Molecular Weight339.75 g/mol
Exact Mass339.08
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide
SMILESC=C(CCNC(=O)COc1ccc(Cl)c(F)c1)c1nnc(C)o1
InChIInChI=1S/C15H15ClFN3O3/c1-9(15-20-19-10(2)23-15)5-6-18-14(21)8-22-11-3-4-12(16)13(17)7-11/h3-4,7H,1,5-6,8H2,2H3,(H,18,21)
InChIKeyPUJBUEGKZHKSIB-UHFFFAOYSA-N
XLogP2.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide
CID 138632283
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-methoxypyridine-2-carboxamide
CID 155264549
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-1,3-benzoxazole-2-carboxamide
CID 155264613
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methylidene-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 138736339
2-(4-chloro-3-fluorophenoxy)-N-[3-(5-cyclobutyl-4,5-dihydro-1,2-oxazol-3-yl)but-3-enyl]acetamide
CID 167267276
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 155264774
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methylidene-N-[(4-methyl-3-pyridinyl)methyl]butanamide
CID 166896229
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-fluorobutyl]acetamide
CID 138632382
(E)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 138632707
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene
CID 142528168

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide (CID 167268053) is 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide is C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)c1nnc(C)o1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide?
The InChIKey is PUJBUEGKZHKSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3/c1-9(15-20-19-10(2)23-15)5-6-18-14(21)8-22-11-3-4-12(16)13(17)7-11/h3-4,7H,1,5-6,8H2,2H3,(H,18,21).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide has a molecular weight of 339.75 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide is sourced from PubChem (CID 167268053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).