2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide

C10H7ClN4O4 — CID 113234585

IUPAC2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide
SMILESCc1noc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C10H7ClN4O4/c1-5-12-10(19-14-5)13-9(16)7-4-6(15(17)18)2-3-8(7)11/h2-4H,1H3,(H,12,13,14,16)
InChIKeyZNLDDNIOVTUALY-UHFFFAOYSA-N
MW282.64 g/mol
LogP2.19
Rot. Bonds3

About 2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide

2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide (PubChem CID 113234585) has the molecular formula C10H7ClN4O4 and a molecular weight of 282.64 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide
PubChem CID113234585
Molecular FormulaC10H7ClN4O4
Molecular Weight282.64 g/mol
Exact Mass282.02
IUPAC Name2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide
SMILESCc1noc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C10H7ClN4O4/c1-5-12-10(19-14-5)13-9(16)7-4-6(15(17)18)2-3-8(7)11/h2-4H,1H3,(H,12,13,14,16)
InChIKeyZNLDDNIOVTUALY-UHFFFAOYSA-N
XLogP2.19
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 2679272
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-chloro-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 78955439
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 115622239
5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 45428362
N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 31056624
2-chloro-N-(4-methoxy-3,5-dinitrophenyl)-5-nitrobenzamide
CID 17358222
2-chloro-N-(3-cyano-4,5-dimethylfuran-2-yl)-5-nitrobenzamide
CID 108740165
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 4310552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide (CID 113234585) is 2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide is Cc1noc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1.
What is the InChIKey of 2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide?
The InChIKey is ZNLDDNIOVTUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O4/c1-5-12-10(19-14-5)13-9(16)7-4-6(15(17)18)2-3-8(7)11/h2-4H,1H3,(H,12,13,14,16).
What are the key properties of 2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide?
2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide has a molecular weight of 282.64 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-1,2,4-oxadiazol-5-yl)-5-nitrobenzamide is sourced from PubChem (CID 113234585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).