5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide

C20H21BrN2O4 — CID 17351821

IUPAC5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCC
InChIInChI=1S/C20H21BrN2O4/c1-3-11-26-17-8-6-5-7-15(17)19(24)22-23-20(25)16-13-14(21)9-10-18(16)27-12-4-2/h3,5-10,13H,1,4,11-12H2,2H3,(H,22,24)(H,23,25)
InChIKeyFTONTNFCURVCMP-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.88
Rot. Bonds8

About 5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide

5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide (PubChem CID 17351821) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is 5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
PubChem CID17351821
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Name5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCC
InChIInChI=1S/C20H21BrN2O4/c1-3-11-26-17-8-6-5-7-15(17)19(24)22-23-20(25)16-13-14(21)9-10-18(16)27-12-4-2/h3,5-10,13H,1,4,11-12H2,2H3,(H,22,24)(H,23,25)
InChIKeyFTONTNFCURVCMP-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-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17094423
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide
CID 17351725
5-bromo-2-(2-phenylethoxy)-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide
CID 17046862
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
5-bromo-2-hexoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide
CID 17343868
5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide
CID 17351738
5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098043
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide?
The IUPAC name of 5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide (CID 17351821) is 5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)c1cc(Br)ccc1OCCC.
What is the InChIKey of 5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide?
The InChIKey is FTONTNFCURVCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-3-11-26-17-8-6-5-7-15(17)19(24)22-23-20(25)16-13-14(21)9-10-18(16)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 5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide?
5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-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 5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide is sourced from PubChem (CID 17351821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).