7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide

C15H20ClN3O3 — CID 44582820

IUPAC7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
SMILESO=C(CCCCCC(=O)NN/C=C/c1ccccc1Cl)NO
InChIInChI=1S/C15H20ClN3O3/c16-13-7-5-4-6-12(13)10-11-17-18-14(20)8-2-1-3-9-15(21)19-22/h4-7,10-11,17,22H,1-3,8-9H2,(H,18,20)(H,19,21)/b11-10+
InChIKeyBQLNACBDWMLDOW-ZHACJKMWSA-N
MW325.80 g/mol
LogP2.39
Rot. Bonds9

About 7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide

7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide (PubChem CID 44582820) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide.

Molecular Properties

Compound Name7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
PubChem CID44582820
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide
SMILESO=C(CCCCCC(=O)NN/C=C/c1ccccc1Cl)NO
InChIInChI=1S/C15H20ClN3O3/c16-13-7-5-4-6-12(13)10-11-17-18-14(20)8-2-1-3-9-15(21)19-22/h4-7,10-11,17,22H,1-3,8-9H2,(H,18,20)(H,19,21)/b11-10+
InChIKeyBQLNACBDWMLDOW-ZHACJKMWSA-N
XLogP2.39
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The IUPAC name of 7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide (CID 44582820) is 7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide.
What is the SMILES notation for 7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The canonical SMILES for 7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide is O=C(CCCCCC(=O)NN/C=C/c1ccccc1Cl)NO.
What is the InChIKey of 7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
The InChIKey is BQLNACBDWMLDOW-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c16-13-7-5-4-6-12(13)10-11-17-18-14(20)8-2-1-3-9-15(21)19-22/h4-7,10-11,17,22H,1-3,8-9H2,(H,18,20)(H,19,21)/b11-10+.
What are the key properties of 7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide?
7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide has a molecular weight of 325.80 g/mol, XLogP of 2.39, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(E)-2-(2-chlorophenyl)ethenyl]hydrazinyl]-N-hydroxy-7-oxoheptanamide is sourced from PubChem (CID 44582820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).