N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide

C21H20N2O2 — CID 2351974

IUPACN'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide
SMILESO=C(NNC1=C2C=CC[C@@H]2C1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c24-21(23-22-20-13-17-5-4-8-19(17)20)16-11-9-15(10-12-16)14-25-18-6-2-1-3-7-18/h1-4,6-12,17,22H,5,13-14H2,(H,23,24)/t17-/m1/s1
InChIKeyLSGBGPXZVHPIRV-QGZVFWFLSA-N
MW332.40 g/mol
LogP3.73
Rot. Bonds6

About N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide

N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide (PubChem CID 2351974) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide
PubChem CID2351974
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide
SMILESO=C(NNC1=C2C=CC[C@@H]2C1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c24-21(23-22-20-13-17-5-4-8-19(17)20)16-11-9-15(10-12-16)14-25-18-6-2-1-3-7-18/h1-4,6-12,17,22H,5,13-14H2,(H,23,24)/t17-/m1/s1
InChIKeyLSGBGPXZVHPIRV-QGZVFWFLSA-N
XLogP3.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
N-(6-bicyclo[3.2.0]hept-3-enylideneamino)-4-(phenoxymethyl)benzamide
CID 3321972
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-4-(phenoxymethyl)benzamide
CID 7435049
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
4-(phenoxymethyl)-N-prop-2-ynylbenzamide
CID 39737071

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide?
The IUPAC name of N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide (CID 2351974) is N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide.
What is the SMILES notation for N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide?
The canonical SMILES for N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide is O=C(NNC1=C2C=CC[C@@H]2C1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide?
The InChIKey is LSGBGPXZVHPIRV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(23-22-20-13-17-5-4-8-19(17)20)16-11-9-15(10-12-16)14-25-18-6-2-1-3-7-18/h1-4,6-12,17,22H,5,13-14H2,(H,23,24)/t17-/m1/s1.
What are the key properties of N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide?
N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide has a molecular weight of 332.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-4-(phenoxymethyl)benzohydrazide is sourced from PubChem (CID 2351974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).