5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide

C15H24ClN3O — CID 62247800

IUPAC5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C15H24ClN3O/c1-3-4-5-6-7-11(2)18-15(20)13-10-12(16)8-9-14(13)19-17/h8-11,19H,3-7,17H2,1-2H3,(H,18,20)
InChIKeyMDKJGQWAAGNEBR-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.71
Rot. Bonds8

About 5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide

5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide (PubChem CID 62247800) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide
PubChem CID62247800
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C15H24ClN3O/c1-3-4-5-6-7-11(2)18-15(20)13-10-12(16)8-9-14(13)19-17/h8-11,19H,3-7,17H2,1-2H3,(H,18,20)
InChIKeyMDKJGQWAAGNEBR-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
CID 62235669
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
N-heptan-2-yl-5-methyl-2-(methylamino)benzamide
CID 62509942
5-bromo-2-fluoro-N-octan-2-ylbenzamide
CID 55222984
5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65053143
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
CID 63211510
4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide
CID 43737653
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide
CID 55047014
5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-(propylamino)benzamide
CID 82949522
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide (CID 62247800) is 5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide is CCCCCCC(C)NC(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide?
The InChIKey is MDKJGQWAAGNEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-4-5-6-7-11(2)18-15(20)13-10-12(16)8-9-14(13)19-17/h8-11,19H,3-7,17H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide?
5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide has a molecular weight of 297.83 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide is sourced from PubChem (CID 62247800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).