N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide

C16H23N3O — CID 63686870

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)NCC2CC3CCC2C3)c1
InChIInChI=1S/C16H23N3O/c1-10-2-5-15(19-17)14(6-10)16(20)18-9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13,19H,3-4,7-9,17H2,1H3,(H,18,20)
InChIKeyJMRLTOSSPFKGSJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.45
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide (PubChem CID 63686870) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide
PubChem CID63686870
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)NCC2CC3CCC2C3)c1
InChIInChI=1S/C16H23N3O/c1-10-2-5-15(19-17)14(6-10)16(20)18-9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13,19H,3-4,7-9,17H2,1H3,(H,18,20)
InChIKeyJMRLTOSSPFKGSJ-UHFFFAOYSA-N
XLogP2.45
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.45
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

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
CID 63686504
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-methylbenzoic acid
CID 63681993
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
CID 63687523
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
CID 63687178
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpyridine-3-carboxamide
CID 63687718
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717899
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
CID 63687169
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylbenzene-1,2-diamine
CID 63689970
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide (CID 63686870) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide is Cc1ccc(NN)c(C(=O)NCC2CC3CCC2C3)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide?
The InChIKey is JMRLTOSSPFKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-2-5-15(19-17)14(6-10)16(20)18-9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13,19H,3-4,7-9,17H2,1H3,(H,18,20).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide has a molecular weight of 273.38 g/mol, XLogP of 2.45, 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)-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 63686870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).