3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

C11H11ClN4O2 — CID 106391680

IUPAC3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2ncon2)c1Cl
InChIInChI=1S/C11H11ClN4O2/c12-10-7(2-1-3-8(10)13)11(17)14-5-4-9-15-6-18-16-9/h1-3,6H,4-5,13H2,(H,14,17)
InChIKeySRXDXQACSNTGKO-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.28
Rot. Bonds4

About 3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 106391680) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID106391680
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2ncon2)c1Cl
InChIInChI=1S/C11H11ClN4O2/c12-10-7(2-1-3-8(10)13)11(17)14-5-4-9-15-6-18-16-9/h1-3,6H,4-5,13H2,(H,14,17)
InChIKeySRXDXQACSNTGKO-UHFFFAOYSA-N
XLogP1.28
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
4-chloro-2-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 113346470
3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 112575884
4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182826
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
3-amino-5-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182827
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106397156
2-hydrazinyl-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409422
3-amino-2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106032973
2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103773544
3-amino-4-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 106410244
4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide
CID 106396198

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 106391680) is 3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is Nc1cccc(C(=O)NCCc2ncon2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is SRXDXQACSNTGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c12-10-7(2-1-3-8(10)13)11(17)14-5-4-9-15-6-18-16-9/h1-3,6H,4-5,13H2,(H,14,17).
What are the key properties of 3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide?
3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 266.69 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106391680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).