N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide

C20H22I2N2O3 — CID 118012187

IUPACN'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NN(C(=O)c2cc(C)cc(I)c2)C(C)(C)C)c1I
InChIInChI=1S/C20H22I2N2O3/c1-12-9-13(11-14(21)10-12)19(26)24(20(2,3)4)23-18(25)15-7-6-8-16(27-5)17(15)22/h6-11H,1-5H3,(H,23,25)
InChIKeyDHNMQQNSISGFAW-UHFFFAOYSA-N
MW592.22 g/mol
LogP4.80
Rot. Bonds3

About N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide

N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide (PubChem CID 118012187) has the molecular formula C20H22I2N2O3 and a molecular weight of 592.22 g/mol. Its IUPAC name is N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide
PubChem CID118012187
Molecular FormulaC20H22I2N2O3
Molecular Weight592.22 g/mol
Exact Mass591.97
IUPAC NameN'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NN(C(=O)c2cc(C)cc(I)c2)C(C)(C)C)c1I
InChIInChI=1S/C20H22I2N2O3/c1-12-9-13(11-14(21)10-12)19(26)24(20(2,3)4)23-18(25)15-7-6-8-16(27-5)17(15)22/h6-11H,1-5H3,(H,23,25)
InChIKeyDHNMQQNSISGFAW-UHFFFAOYSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.22
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,3-dimethoxybenzohydrazide
CID 101134353
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-nitrobenzohydrazide
CID 69296103
N'-tert-butyl-N'-(3,4-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
CID 22400604
N-tert-butyl-2,4,6-trideuterio-N'-(3-methoxy-2-methylbenzoyl)-3,5-bis(trideuteriomethyl)benzohydrazide
CID 131709106
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide;methyl N-(methylcarbamoyloxy)ethanimidothioate
CID 174882016
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide
CID 11771754
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-[[methyl(methylidene)-λ4-sulfanyl]methyl]benzohydrazide;N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-(methylsulfonylmethyl)benzohydrazide
CID 157090484
N'-(3,5-dimethylbenzoyl)-2-ethyl-3-methoxy-N'-(1-methoxy-2-methylpropan-2-yl)benzohydrazide
CID 59838665
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1,3-benzodioxole-4-carbohydrazide
CID 50940762
N'-[[3-[tert-butyl-[(2-ethyl-3-methoxybenzoyl)amino]carbamoyl]-5-methylphenyl]methylideneamino]oxamide
CID 77399976

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide?
The IUPAC name of N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide (CID 118012187) is N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide.
What is the SMILES notation for N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide?
The canonical SMILES for N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide is COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(I)c2)C(C)(C)C)c1I.
What is the InChIKey of N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide?
The InChIKey is DHNMQQNSISGFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22I2N2O3/c1-12-9-13(11-14(21)10-12)19(26)24(20(2,3)4)23-18(25)15-7-6-8-16(27-5)17(15)22/h6-11H,1-5H3,(H,23,25).
What are the key properties of N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide?
N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide has a molecular weight of 592.22 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide is sourced from PubChem (CID 118012187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).