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

C19H21IN2O4 — CID 4953445

IUPACN'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
SMILESCCc1ccc(OC(C)C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C19H21IN2O4/c1-4-13-5-8-15(9-6-13)26-12(2)18(23)21-22-19(24)14-7-10-17(25-3)16(20)11-14/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHYLFOSMTXKMMTQ-UHFFFAOYSA-N
MW468.29 g/mol
LogP3.09
Rot. Bonds6

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

N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide (PubChem CID 4953445) has the molecular formula C19H21IN2O4 and a molecular weight of 468.29 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
PubChem CID4953445
Molecular FormulaC19H21IN2O4
Molecular Weight468.29 g/mol
Exact Mass468.05
IUPAC NameN'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
SMILESCCc1ccc(OC(C)C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C19H21IN2O4/c1-4-13-5-8-15(9-6-13)26-12(2)18(23)21-22-19(24)14-7-10-17(25-3)16(20)11-14/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHYLFOSMTXKMMTQ-UHFFFAOYSA-N
XLogP3.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.29
LogP ≤ 53.09
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-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4944161
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 17046488
3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
CID 4953482
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
CID 9237602
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4953511

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide (CID 4953445) is N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide is CCc1ccc(OC(C)C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
The InChIKey is HYLFOSMTXKMMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O4/c1-4-13-5-8-15(9-6-13)26-12(2)18(23)21-22-19(24)14-7-10-17(25-3)16(20)11-14/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide has a molecular weight of 468.29 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide is sourced from PubChem (CID 4953445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).