N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide

C17H17IN2O5 — CID 2715629

IUPACN'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(I)c2)cc(OC)c1OC
InChIInChI=1S/C17H17IN2O5/c1-23-13-8-11(9-14(24-2)15(13)25-3)17(22)20-19-16(21)10-5-4-6-12(18)7-10/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyRUPATTUMQFTLSQ-UHFFFAOYSA-N
MW456.24 g/mol
LogP2.39
Rot. Bonds5

About N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide

N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide (PubChem CID 2715629) has the molecular formula C17H17IN2O5 and a molecular weight of 456.24 g/mol. Its IUPAC name is N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
PubChem CID2715629
Molecular FormulaC17H17IN2O5
Molecular Weight456.24 g/mol
Exact Mass456.02
IUPAC NameN'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(I)c2)cc(OC)c1OC
InChIInChI=1S/C17H17IN2O5/c1-23-13-8-11(9-14(24-2)15(13)25-3)17(22)20-19-16(21)10-5-4-6-12(18)7-10/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyRUPATTUMQFTLSQ-UHFFFAOYSA-N
XLogP2.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
CID 31301682
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
3,4,5-trimethoxy-N'-[1-(3-methoxyphenyl)ethenyl]benzohydrazide
CID 2401018
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
3-iodo-N'-(4-methylbenzoyl)benzohydrazide
CID 1127160
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
N'-(3-bromo-4-methylbenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4509539

Frequently Asked Questions

What is the IUPAC name of N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide (CID 2715629) is N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)c2cccc(I)c2)cc(OC)c1OC.
What is the InChIKey of N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide?
The InChIKey is RUPATTUMQFTLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O5/c1-23-13-8-11(9-14(24-2)15(13)25-3)17(22)20-19-16(21)10-5-4-6-12(18)7-10/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide?
N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide has a molecular weight of 456.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 2715629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).