N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide

C15H20ClN3O — CID 63686504

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
SMILESNNc1ccc(Cl)cc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H20ClN3O/c16-12-3-4-14(19-17)13(7-12)15(20)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,19H,1-2,5-6,8,17H2,(H,18,20)
InChIKeyYSKUWRKKHCKLJR-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.79
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide (PubChem CID 63686504) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
PubChem CID63686504
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
SMILESNNc1ccc(Cl)cc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H20ClN3O/c16-12-3-4-14(19-17)13(7-12)15(20)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,19H,1-2,5-6,8,17H2,(H,18,20)
InChIKeyYSKUWRKKHCKLJR-UHFFFAOYSA-N
XLogP2.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide (CID 63686504) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide is NNc1ccc(Cl)cc1C(=O)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide?
The InChIKey is YSKUWRKKHCKLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-12-3-4-14(19-17)13(7-12)15(20)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,19H,1-2,5-6,8,17H2,(H,18,20).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide has a molecular weight of 293.80 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide is sourced from PubChem (CID 63686504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).