N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide

C17H16ClIN2O4 — CID 4944161

IUPACN'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2)cc1I
InChIInChI=1S/C17H16ClIN2O4/c1-10(25-13-6-4-12(18)5-7-13)16(22)20-21-17(23)11-3-8-15(24-2)14(19)9-11/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyPNFWOHVWULWCPP-UHFFFAOYSA-N
MW474.68 g/mol
LogP3.18
Rot. Bonds5

About N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide

N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide (PubChem CID 4944161) has the molecular formula C17H16ClIN2O4 and a molecular weight of 474.68 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
PubChem CID4944161
Molecular FormulaC17H16ClIN2O4
Molecular Weight474.68 g/mol
Exact Mass473.98
IUPAC NameN'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2)cc1I
InChIInChI=1S/C17H16ClIN2O4/c1-10(25-13-6-4-12(18)5-7-13)16(22)20-21-17(23)11-3-8-15(24-2)14(19)9-11/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyPNFWOHVWULWCPP-UHFFFAOYSA-N
XLogP3.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.68
LogP ≤ 53.18
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

N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 17046488
N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4953445
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea
CID 1011551
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide
CID 55821337

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide (CID 4944161) is N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2)cc1I.
What is the InChIKey of N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
The InChIKey is PNFWOHVWULWCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClIN2O4/c1-10(25-13-6-4-12(18)5-7-13)16(22)20-21-17(23)11-3-8-15(24-2)14(19)9-11/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide has a molecular weight of 474.68 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide is sourced from PubChem (CID 4944161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).