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

C23H21Cl2F2N3O4 — CID 165399649

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCC(c2nnc(COc3ccc(Cl)c(F)c3)o2)CC1
InChIInChI=1S/C23H21Cl2F2N3O4/c24-17-7-5-15(9-19(17)26)32-11-21(31)28-14-3-1-13(2-4-14)23-30-29-22(34-23)12-33-16-6-8-18(25)20(27)10-16/h5-10,13-14H,1-4,11-12H2,(H,28,31)
InChIKeyBASUMBNIBZKACA-UHFFFAOYSA-N
MW512.34 g/mol
LogP5.45
Rot. Bonds8

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

2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide (PubChem CID 165399649) has the molecular formula C23H21Cl2F2N3O4 and a molecular weight of 512.34 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide
PubChem CID165399649
Molecular FormulaC23H21Cl2F2N3O4
Molecular Weight512.34 g/mol
Exact Mass511.09
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCC(c2nnc(COc3ccc(Cl)c(F)c3)o2)CC1
InChIInChI=1S/C23H21Cl2F2N3O4/c24-17-7-5-15(9-19(17)26)32-11-21(31)28-14-3-1-13(2-4-14)23-30-29-22(34-23)12-33-16-6-8-18(25)20(27)10-16/h5-10,13-14H,1-4,11-12H2,(H,28,31)
InChIKeyBASUMBNIBZKACA-UHFFFAOYSA-N
XLogP5.45
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.34
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-(4,4,4-trifluorobutoxy)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234829
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-[(2,2-difluorocyclopropyl)methoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234692
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-(2-cyclobutyloxyethoxy)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 162689786
2-(4-chloro-3-fluorophenoxy)-N-[2-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 169019072
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 165399670
2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide
CID 154979264
2-(4-chloro-3-fluorophenoxy)acetic acid;2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide;4-methylcyclohexane-1-carboxylic acid;4-methyl-N'-[3-(trifluoromethoxy)cyclobutanecarbonyl]cyclohexane-1-carbohydrazide;3-(trifluoromethoxy)cyclobutane-1-carbohydrazide;4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine
CID 159659438
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(1S)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]acetamide
CID 167268216
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
CID 167268092
N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 142586447
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide (CID 165399649) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC1CCC(c2nnc(COc3ccc(Cl)c(F)c3)o2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide?
The InChIKey is BASUMBNIBZKACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2F2N3O4/c24-17-7-5-15(9-19(17)26)32-11-21(31)28-14-3-1-13(2-4-14)23-30-29-22(34-23)12-33-16-6-8-18(25)20(27)10-16/h5-10,13-14H,1-4,11-12H2,(H,28,31).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide has a molecular weight of 512.34 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide is sourced from PubChem (CID 165399649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).