N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide

C13H20ClN3O — CID 62241178

IUPACN-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C13H20ClN3O/c1-4-9(3)17(5-2)13(18)11-8-10(14)6-7-12(11)16-15/h6-9,16H,4-5,15H2,1-3H3
InChIKeySTQYZMLWKXEOSZ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.89
Rot. Bonds5

About N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide

N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide (PubChem CID 62241178) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide
PubChem CID62241178
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C13H20ClN3O/c1-4-9(3)17(5-2)13(18)11-8-10(14)6-7-12(11)16-15/h6-9,16H,4-5,15H2,1-3H3
InChIKeySTQYZMLWKXEOSZ-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.89
H-Bond Donors ≤ 52
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-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide
CID 62177319
N-butan-2-yl-5-chloro-N-ethyl-2-nitrobenzamide
CID 43274565
5-chloro-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 62236604
N-butan-2-yl-N-ethyl-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81255513
5-chloro-N-cyclohexyl-N-ethyl-2-hydrazinylbenzamide
CID 62248307
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62241359
5-chloro-N-cyclopropyl-2-hydrazinyl-N-methylbenzamide
CID 62243364
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
CID 62235669
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide
CID 106685395

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide?
The IUPAC name of N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide (CID 62241178) is N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide.
What is the SMILES notation for N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide?
The canonical SMILES for N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide is CCC(C)N(CC)C(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide?
The InChIKey is STQYZMLWKXEOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-9(3)17(5-2)13(18)11-8-10(14)6-7-12(11)16-15/h6-9,16H,4-5,15H2,1-3H3.
What are the key properties of N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide?
N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide has a molecular weight of 269.78 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide is sourced from PubChem (CID 62241178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).