5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide

C13H20ClN3O2 — CID 65053143

IUPAC5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide
SMILESCOCC(NC(=O)c1cc(Cl)ccc1NN)C(C)C
InChIInChI=1S/C13H20ClN3O2/c1-8(2)12(7-19-3)16-13(18)10-6-9(14)4-5-11(10)17-15/h4-6,8,12,17H,7,15H2,1-3H3,(H,16,18)
InChIKeyVRKPYEQNAJQSGU-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.03
Rot. Bonds6

About 5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide

5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide (PubChem CID 65053143) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide
PubChem CID65053143
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide
SMILESCOCC(NC(=O)c1cc(Cl)ccc1NN)C(C)C
InChIInChI=1S/C13H20ClN3O2/c1-8(2)12(7-19-3)16-13(18)10-6-9(14)4-5-11(10)17-15/h4-6,8,12,17H,7,15H2,1-3H3,(H,16,18)
InChIKeyVRKPYEQNAJQSGU-UHFFFAOYSA-N
XLogP2.03
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65049581
2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide
CID 103278099
5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide
CID 62247800
5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
CID 62235669
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62243489
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
N-(1-bromo-3-methylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82891279
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)-5-methylbenzamide
CID 81002971
5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
CID 62234135

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide (CID 65053143) is 5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide is COCC(NC(=O)c1cc(Cl)ccc1NN)C(C)C.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The InChIKey is VRKPYEQNAJQSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8(2)12(7-19-3)16-13(18)10-6-9(14)4-5-11(10)17-15/h4-6,8,12,17H,7,15H2,1-3H3,(H,16,18).
What are the key properties of 5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide has a molecular weight of 285.78 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 65053143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).