5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide

C13H20ClN3O — CID 62235669

IUPAC5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C13H20ClN3O/c1-3-5-10(4-2)16-13(18)11-8-9(14)6-7-12(11)17-15/h6-8,10,17H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyDDUJNTSVYZECHY-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.93
Rot. Bonds6

About 5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide

5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide (PubChem CID 62235669) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide.

Molecular Properties

Compound Name5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
PubChem CID62235669
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C13H20ClN3O/c1-3-5-10(4-2)16-13(18)11-8-9(14)6-7-12(11)17-15/h6-8,10,17H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyDDUJNTSVYZECHY-UHFFFAOYSA-N
XLogP2.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.93
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

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CID 63498965
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CID 81256728
N-hexan-3-yl-3-hydrazinylpyridine-4-carboxamide
CID 105071655
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294205
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65053143
5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
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CID 65194048

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide?
The IUPAC name of 5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide (CID 62235669) is 5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide.
What is the SMILES notation for 5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide?
The canonical SMILES for 5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide is CCCC(CC)NC(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of 5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide?
The InChIKey is DDUJNTSVYZECHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-5-10(4-2)16-13(18)11-8-9(14)6-7-12(11)17-15/h6-8,10,17H,3-5,15H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide?
5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide has a molecular weight of 269.78 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide is sourced from PubChem (CID 62235669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).