N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide

C20H23ClN2O — CID 101191317

IUPACN'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide
SMILESC=C[C@@H](C)[C@@](CC)(NNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O/c1-4-15(3)20(5-2,17-11-13-18(21)14-12-17)23-22-19(24)16-9-7-6-8-10-16/h4,6-15,23H,1,5H2,2-3H3,(H,22,24)/t15-,20-/m1/s1
InChIKeyJJAUQLILUDYUOM-FOIQADDNSA-N
MW342.87 g/mol
LogP4.70
Rot. Bonds7

About N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide

N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide (PubChem CID 101191317) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide
PubChem CID101191317
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide
SMILESC=C[C@@H](C)[C@@](CC)(NNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O/c1-4-15(3)20(5-2,17-11-13-18(21)14-12-17)23-22-19(24)16-9-7-6-8-10-16/h4,6-15,23H,1,5H2,2-3H3,(H,22,24)/t15-,20-/m1/s1
InChIKeyJJAUQLILUDYUOM-FOIQADDNSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide?
The IUPAC name of N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide (CID 101191317) is N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide.
What is the SMILES notation for N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide?
The canonical SMILES for N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide is C=C[C@@H](C)[C@@](CC)(NNC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide?
The InChIKey is JJAUQLILUDYUOM-FOIQADDNSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-4-15(3)20(5-2,17-11-13-18(21)14-12-17)23-22-19(24)16-9-7-6-8-10-16/h4,6-15,23H,1,5H2,2-3H3,(H,22,24)/t15-,20-/m1/s1.
What are the key properties of N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide?
N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide has a molecular weight of 342.87 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R,4R)-3-(4-chlorophenyl)-4-methylhex-5-en-3-yl]benzohydrazide is sourced from PubChem (CID 101191317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).