N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide

C17H15BrN2O3 — CID 54790852

IUPACN'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O3/c1-2-11-23-15-9-5-13(6-10-15)17(22)20-19-16(21)12-3-7-14(18)8-4-12/h2-10H,1,11H2,(H,19,21)(H,20,22)
InChIKeyGDJLKFNPALGDOB-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.09
Rot. Bonds5

About N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide

N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide (PubChem CID 54790852) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
PubChem CID54790852
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC NameN'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O3/c1-2-11-23-15-9-5-13(6-10-15)17(22)20-19-16(21)12-3-7-14(18)8-4-12/h2-10H,1,11H2,(H,19,21)(H,20,22)
InChIKeyGDJLKFNPALGDOB-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
CID 4926340
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925933
3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4955159
4-bromo-N'-but-3-enethioylbenzohydrazide
CID 2313028
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide (CID 54790852) is N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide?
The InChIKey is GDJLKFNPALGDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-2-11-23-15-9-5-13(6-10-15)17(22)20-19-16(21)12-3-7-14(18)8-4-12/h2-10H,1,11H2,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide?
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide has a molecular weight of 375.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 54790852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).