N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide

C18H18BrIN2O5 — CID 17357364

IUPACN'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide
SMILESCOCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(I)c1
InChIInChI=1S/C18H18BrIN2O5/c1-25-7-8-27-15-6-4-12(19)10-13(15)18(24)22-21-17(23)11-3-5-16(26-2)14(20)9-11/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGPYMVUFBJAQBFA-UHFFFAOYSA-N
MW549.16 g/mol
LogP3.16
Rot. Bonds7

About N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide

N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide (PubChem CID 17357364) has the molecular formula C18H18BrIN2O5 and a molecular weight of 549.16 g/mol. Its IUPAC name is N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide
PubChem CID17357364
Molecular FormulaC18H18BrIN2O5
Molecular Weight549.16 g/mol
Exact Mass547.94
IUPAC NameN'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide
SMILESCOCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(I)c1
InChIInChI=1S/C18H18BrIN2O5/c1-25-7-8-27-15-6-4-12(19)10-13(15)18(24)22-21-17(23)11-3-5-16(26-2)14(20)9-11/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGPYMVUFBJAQBFA-UHFFFAOYSA-N
XLogP3.16
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-butoxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 17350574
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide
CID 17357345
5-bromo-2-(2-methoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17357334
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17357411
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide
CID 17351725
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206
5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17357343
3-bromo-4-butoxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4956198

Frequently Asked Questions

What is the IUPAC name of N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide?
The IUPAC name of N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide (CID 17357364) is N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide?
The canonical SMILES for N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide is COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(I)c1.
What is the InChIKey of N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide?
The InChIKey is GPYMVUFBJAQBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrIN2O5/c1-25-7-8-27-15-6-4-12(19)10-13(15)18(24)22-21-17(23)11-3-5-16(26-2)14(20)9-11/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide?
N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide has a molecular weight of 549.16 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide is sourced from PubChem (CID 17357364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).