N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide

C21H25BrN2O6 — CID 35934164

IUPACN'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
SMILESCCOc1cc(Br)c(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C21H25BrN2O6/c1-5-29-18-10-14(15(22)12-19(18)30-6-2)11-20(25)23-24-21(26)13-7-8-16(27-3)17(9-13)28-4/h7-10,12H,5-6,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyANIRTAKETCOIKD-UHFFFAOYSA-N
MW481.34 g/mol
LogP3.27
Rot. Bonds9

About N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide

N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide (PubChem CID 35934164) has the molecular formula C21H25BrN2O6 and a molecular weight of 481.34 g/mol. Its IUPAC name is N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
PubChem CID35934164
Molecular FormulaC21H25BrN2O6
Molecular Weight481.34 g/mol
Exact Mass480.09
IUPAC NameN'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
SMILESCCOc1cc(Br)c(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C21H25BrN2O6/c1-5-29-18-10-14(15(22)12-19(18)30-6-2)11-20(25)23-24-21(26)13-7-8-16(27-3)17(9-13)28-4/h7-10,12H,5-6,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyANIRTAKETCOIKD-UHFFFAOYSA-N
XLogP3.27
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide
CID 9366282
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 9090512
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
CID 34250355
methyl 4-[[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]methyl]benzoate
CID 55386442
5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 31728509
4-ethoxy-3-methoxy-N'-(2-naphthalen-2-ylacetyl)benzohydrazide
CID 9439837
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide (CID 35934164) is N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide is CCOc1cc(Br)c(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1OCC.
What is the InChIKey of N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is ANIRTAKETCOIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O6/c1-5-29-18-10-14(15(22)12-19(18)30-6-2)11-20(25)23-24-21(26)13-7-8-16(27-3)17(9-13)28-4/h7-10,12H,5-6,11H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide?
N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 481.34 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 35934164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).