4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide

C16H12Cl2N4O2 — CID 99589110

IUPAC4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide
SMILESNC(=O)c1ccc(Cl)cc1NCc1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H12Cl2N4O2/c17-10-3-1-2-9(6-10)16-21-14(22-24-16)8-20-13-7-11(18)4-5-12(13)15(19)23/h1-7,20H,8H2,(H2,19,23)
InChIKeyNIIAEDWFIZGGIR-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.75
Rot. Bonds5

About 4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide

4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide (PubChem CID 99589110) has the molecular formula C16H12Cl2N4O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is 4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide
PubChem CID99589110
Molecular FormulaC16H12Cl2N4O2
Molecular Weight363.20 g/mol
Exact Mass362.03
IUPAC Name4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide
SMILESNC(=O)c1ccc(Cl)cc1NCc1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H12Cl2N4O2/c17-10-3-1-2-9(6-10)16-21-14(22-24-16)8-20-13-7-11(18)4-5-12(13)15(19)23/h1-7,20H,8H2,(H2,19,23)
InChIKeyNIIAEDWFIZGGIR-UHFFFAOYSA-N
XLogP3.75
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide?
The IUPAC name of 4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide (CID 99589110) is 4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide.
What is the SMILES notation for 4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide?
The canonical SMILES for 4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide is NC(=O)c1ccc(Cl)cc1NCc1noc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide?
The InChIKey is NIIAEDWFIZGGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2/c17-10-3-1-2-9(6-10)16-21-14(22-24-16)8-20-13-7-11(18)4-5-12(13)15(19)23/h1-7,20H,8H2,(H2,19,23).
What are the key properties of 4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide?
4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide has a molecular weight of 363.20 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide is sourced from PubChem (CID 99589110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).