N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C21H22ClFN4O2 — CID 55407178

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCN(C)C(CNC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccccc1Cl
InChIInChI=1S/C21H22ClFN4O2/c1-27(2)18(16-5-3-4-6-17(16)22)13-24-19(28)11-12-20-25-21(26-29-20)14-7-9-15(23)10-8-14/h3-10,18H,11-13H2,1-2H3,(H,24,28)
InChIKeyMZFAKLSROJGUCT-UHFFFAOYSA-N
MW416.88 g/mol
LogP3.88
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55407178) has the molecular formula C21H22ClFN4O2 and a molecular weight of 416.88 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID55407178
Molecular FormulaC21H22ClFN4O2
Molecular Weight416.88 g/mol
Exact Mass416.14
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCN(C)C(CNC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccccc1Cl
InChIInChI=1S/C21H22ClFN4O2/c1-27(2)18(16-5-3-4-6-17(16)22)13-24-19(28)11-12-20-25-21(26-29-20)14-7-9-15(23)10-8-14/h3-10,18H,11-13H2,1-2H3,(H,24,28)
InChIKeyMZFAKLSROJGUCT-UHFFFAOYSA-N
XLogP3.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.88
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 43019750
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-methyl-N'-phenylpropanehydrazide
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CID 42959726
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
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N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24638682
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
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N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110323526
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24640199
N-[(2-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30329305
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55407178) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is CN(C)C(CNC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is MZFAKLSROJGUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O2/c1-27(2)18(16-5-3-4-6-17(16)22)13-24-19(28)11-12-20-25-21(26-29-20)14-7-9-15(23)10-8-14/h3-10,18H,11-13H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 416.88 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55407178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).