N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide

C18H19IN2O3 — CID 43004027

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cccc(I)c2)c1C
InChIInChI=1S/C18H19IN2O3/c1-11-6-4-9-16(12(11)2)24-13(3)17(22)20-21-18(23)14-7-5-8-15(19)10-14/h4-10,13H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGUKSQMTZHRKWIX-UHFFFAOYSA-N
MW438.27 g/mol
LogP3.14
Rot. Bonds4

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide (PubChem CID 43004027) has the molecular formula C18H19IN2O3 and a molecular weight of 438.27 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
PubChem CID43004027
Molecular FormulaC18H19IN2O3
Molecular Weight438.27 g/mol
Exact Mass438.04
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cccc(I)c2)c1C
InChIInChI=1S/C18H19IN2O3/c1-11-6-4-9-16(12(11)2)24-13(3)17(22)20-21-18(23)14-7-5-8-15(19)10-14/h4-10,13H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGUKSQMTZHRKWIX-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
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'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide 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'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
3-methyl-N'-[2-(2-methylphenoxy)propanoyl]benzohydrazide
CID 4010185
tert-butyl N-[3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]carbamate
CID 55388487
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9425412
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589345
N-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 55352046
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide (CID 43004027) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2cccc(I)c2)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide?
The InChIKey is GUKSQMTZHRKWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O3/c1-11-6-4-9-16(12(11)2)24-13(3)17(22)20-21-18(23)14-7-5-8-15(19)10-14/h4-10,13H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide has a molecular weight of 438.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide is sourced from PubChem (CID 43004027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).