5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide

C14H20ClN3O — CID 64920702

IUPAC5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide
SMILESCC1CCC(NC(=O)c2cc(Cl)ccc2NN)C1C
InChIInChI=1S/C14H20ClN3O/c1-8-3-5-12(9(8)2)17-14(19)11-7-10(15)4-6-13(11)18-16/h4,6-9,12,18H,3,5,16H2,1-2H3,(H,17,19)
InChIKeyKCAIOQIFCQLEHO-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.79
Rot. Bonds3

About 5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide

5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide (PubChem CID 64920702) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide
PubChem CID64920702
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide
SMILESCC1CCC(NC(=O)c2cc(Cl)ccc2NN)C1C
InChIInChI=1S/C14H20ClN3O/c1-8-3-5-12(9(8)2)17-14(19)11-7-10(15)4-6-13(11)18-16/h4,6-9,12,18H,3,5,16H2,1-2H3,(H,17,19)
InChIKeyKCAIOQIFCQLEHO-UHFFFAOYSA-N
XLogP2.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide
CID 63500408
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid
CID 64921035
5-chloro-N-cyclohexyl-2-hydrazinylbenzamide
CID 62237687
5-chloro-N-(1,1-dioxothian-4-yl)-2-hydrazinylbenzamide
CID 62237430
N-(2,3-dimethylcyclopentyl)-2-(ethylamino)-5-methylbenzamide
CID 64922871
5-chloro-2-hydrazinyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 62249311
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-5-methylbenzamide
CID 64914858
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
5-chloro-N-cyclopropyl-2-hydrazinyl-N-methylbenzamide
CID 62243364
N-(2,3-dimethylcyclohexyl)-4-hydrazinyl-3-methylbenzamide
CID 63211656

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide?
The IUPAC name of 5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide (CID 64920702) is 5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide.
What is the SMILES notation for 5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide?
The canonical SMILES for 5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide is CC1CCC(NC(=O)c2cc(Cl)ccc2NN)C1C.
What is the InChIKey of 5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide?
The InChIKey is KCAIOQIFCQLEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-8-3-5-12(9(8)2)17-14(19)11-7-10(15)4-6-13(11)18-16/h4,6-9,12,18H,3,5,16H2,1-2H3,(H,17,19).
What are the key properties of 5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide?
5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide has a molecular weight of 281.79 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide is sourced from PubChem (CID 64920702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).