3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide

C20H21BrN2O4 — CID 17342922

IUPAC3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCC)c(Br)c1
InChIInChI=1S/C20H21BrN2O4/c1-3-11-26-17-8-6-5-7-15(17)20(25)23-22-19(24)14-9-10-18(16(21)13-14)27-12-4-2/h3,5-10,13H,1,4,11-12H2,2H3,(H,22,24)(H,23,25)
InChIKeyBSOSUQPQROITCU-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.88
Rot. Bonds8

About 3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide

3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide (PubChem CID 17342922) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is 3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
PubChem CID17342922
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Name3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCC)c(Br)c1
InChIInChI=1S/C20H21BrN2O4/c1-3-11-26-17-8-6-5-7-15(17)20(25)23-22-19(24)14-9-10-18(16(21)13-14)27-12-4-2/h3,5-10,13H,1,4,11-12H2,2H3,(H,22,24)(H,23,25)
InChIKeyBSOSUQPQROITCU-UHFFFAOYSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
CID 17351821
3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide
CID 4931652
3-bromo-4-ethoxy-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide
CID 17074194
3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
CID 4955884
3-bromo-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]-4-propoxybenzamide
CID 17343234
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356627
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4960851
3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 17339553
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
CID 4931565
5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17094423

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide (CID 17342922) is 3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCC)c(Br)c1.
What is the InChIKey of 3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide?
The InChIKey is BSOSUQPQROITCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-3-11-26-17-8-6-5-7-15(17)20(25)23-22-19(24)14-9-10-18(16(21)13-14)27-12-4-2/h3,5-10,13H,1,4,11-12H2,2H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide?
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide has a molecular weight of 433.30 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide is sourced from PubChem (CID 17342922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).