5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide

C13H18ClN3O2 — CID 114096341

IUPAC5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide
SMILESCC1OCCC1(C)NC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C13H18ClN3O2/c1-8-13(2,5-6-19-8)16-12(18)10-7-9(14)3-4-11(10)17-15/h3-4,7-8,17H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyCVHCNTLEYPTJRO-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide

5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide (PubChem CID 114096341) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide
PubChem CID114096341
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide
SMILESCC1OCCC1(C)NC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C13H18ClN3O2/c1-8-13(2,5-6-19-8)16-12(18)10-7-9(14)3-4-11(10)17-15/h3-4,7-8,17H,5-6,15H2,1-2H3,(H,16,18)
InChIKeyCVHCNTLEYPTJRO-UHFFFAOYSA-N
XLogP1.92
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[(2R,3S)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679724
5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679722
2-amino-5-bromo-N-(2,3-dimethyloxolan-3-yl)benzamide
CID 114096556
N-(2,3-dimethyloxolan-3-yl)-2-(methylamino)benzamide
CID 114096557
5-chloro-2-hydrazinyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218313
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
4-bromo-N-(2,3-dimethyloxolan-3-yl)-3-methylbenzamide
CID 113413534
N-(2,3-dimethyloxolan-3-yl)-3-hydroxy-4-iodobenzamide
CID 104630748
(5-chloro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967669
(5-chloro-2-hydrazinylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960537
5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide
CID 64920702
5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769264

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide?
The IUPAC name of 5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide (CID 114096341) is 5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide.
What is the SMILES notation for 5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide?
The canonical SMILES for 5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide is CC1OCCC1(C)NC(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of 5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide?
The InChIKey is CVHCNTLEYPTJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8-13(2,5-6-19-8)16-12(18)10-7-9(14)3-4-11(10)17-15/h3-4,7-8,17H,5-6,15H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide?
5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dimethyloxolan-3-yl)-2-hydrazinylbenzamide is sourced from PubChem (CID 114096341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).