N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide

C17H17BrN2O5 — CID 4805893

IUPACN'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)c(OC)c1OC
InChIInChI=1S/C17H17BrN2O5/c1-23-13-9-8-12(14(24-2)15(13)25-3)17(22)20-19-16(21)10-4-6-11(18)7-5-10/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyGZGMYAAUAFWUGQ-UHFFFAOYSA-N
MW409.24 g/mol
LogP2.55
Rot. Bonds5

About N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide

N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide (PubChem CID 4805893) has the molecular formula C17H17BrN2O5 and a molecular weight of 409.24 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide
PubChem CID4805893
Molecular FormulaC17H17BrN2O5
Molecular Weight409.24 g/mol
Exact Mass408.03
IUPAC NameN'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)c(OC)c1OC
InChIInChI=1S/C17H17BrN2O5/c1-23-13-9-8-12(14(24-2)15(13)25-3)17(22)20-19-16(21)10-4-6-11(18)7-5-10/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyGZGMYAAUAFWUGQ-UHFFFAOYSA-N
XLogP2.55
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 7979201
N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide
CID 4822570
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
methyl N-[(4-bromobenzoyl)amino]carbamate
CID 54790998
4-bromo-N'-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)benzohydrazide
CID 4763419
4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
CID 78805092
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
[(4-bromo-2-methoxybenzoyl)amino]urea
CID 115370230
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide (CID 4805893) is N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)c(OC)c1OC.
What is the InChIKey of N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide?
The InChIKey is GZGMYAAUAFWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O5/c1-23-13-9-8-12(14(24-2)15(13)25-3)17(22)20-19-16(21)10-4-6-11(18)7-5-10/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide?
N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide has a molecular weight of 409.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-2,3,4-trimethoxybenzohydrazide is sourced from PubChem (CID 4805893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).