4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide

C21H20Cl2N4O3 — CID 55807409

IUPAC4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C21H20Cl2N4O3/c1-12(2)24-21(29)16-8-7-15(23)11-17(16)25-18(28)9-10-19-26-20(27-30-19)13-3-5-14(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyNKKZZNIAKNRPPV-UHFFFAOYSA-N
MW447.32 g/mol
LogP4.75
Rot. Bonds7

About 4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide

4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 55807409) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is 4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide
PubChem CID55807409
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC Name4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C21H20Cl2N4O3/c1-12(2)24-21(29)16-8-7-15(23)11-17(16)25-18(28)9-10-19-26-20(27-30-19)13-3-5-14(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyNKKZZNIAKNRPPV-UHFFFAOYSA-N
XLogP4.75
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31066407
N-(5-chloro-2-methylphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26692915
N-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26687929
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 32513217
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 99641746
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94051750
N-(4-bromo-2-chlorophenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26705874
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46627555
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 55807308
2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724
N-(2,4-dichlorophenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26584637

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide (CID 55807409) is 4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is NKKZZNIAKNRPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c1-12(2)24-21(29)16-8-7-15(23)11-17(16)25-18(28)9-10-19-26-20(27-30-19)13-3-5-14(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide?
4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 447.32 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 55807409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).