N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide

C16H14ClIN2O4 — CID 39714334

IUPACN'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2I)cc1OC
InChIInChI=1S/C16H14ClIN2O4/c1-23-13-6-3-9(7-14(13)24-2)15(21)19-20-16(22)11-5-4-10(17)8-12(11)18/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyXBKHPHGPPDONIV-UHFFFAOYSA-N
MW460.66 g/mol
LogP3.04
Rot. Bonds4

About N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide

N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide (PubChem CID 39714334) has the molecular formula C16H14ClIN2O4 and a molecular weight of 460.66 g/mol. Its IUPAC name is N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide
PubChem CID39714334
Molecular FormulaC16H14ClIN2O4
Molecular Weight460.66 g/mol
Exact Mass459.97
IUPAC NameN'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2I)cc1OC
InChIInChI=1S/C16H14ClIN2O4/c1-23-13-6-3-9(7-14(13)24-2)15(21)19-20-16(22)11-5-4-10(17)8-12(11)18/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyXBKHPHGPPDONIV-UHFFFAOYSA-N
XLogP3.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.66
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55313953
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N'-(4-chloro-2-iodobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 39714374
N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide (CID 39714334) is N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2I)cc1OC.
What is the InChIKey of N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide?
The InChIKey is XBKHPHGPPDONIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClIN2O4/c1-23-13-6-3-9(7-14(13)24-2)15(21)19-20-16(22)11-5-4-10(17)8-12(11)18/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide?
N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide has a molecular weight of 460.66 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 39714334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).