5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide

C17H16BrIN2O3 — CID 17351725

IUPAC5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide
SMILESCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I
InChIInChI=1S/C17H16BrIN2O3/c1-2-9-24-15-8-7-11(18)10-13(15)17(23)21-20-16(22)12-5-3-4-6-14(12)19/h3-8,10H,2,9H2,1H3,(H,20,22)(H,21,23)
InChIKeySTVDXKPGDYJPQA-UHFFFAOYSA-N
MW503.13 g/mol
LogP3.92
Rot. Bonds5

About 5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide

5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide (PubChem CID 17351725) has the molecular formula C17H16BrIN2O3 and a molecular weight of 503.13 g/mol. Its IUPAC name is 5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide
PubChem CID17351725
Molecular FormulaC17H16BrIN2O3
Molecular Weight503.13 g/mol
Exact Mass501.94
IUPAC Name5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide
SMILESCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I
InChIInChI=1S/C17H16BrIN2O3/c1-2-9-24-15-8-7-11(18)10-13(15)17(23)21-20-16(22)12-5-3-4-6-14(12)19/h3-8,10H,2,9H2,1H3,(H,20,22)(H,21,23)
InChIKeySTVDXKPGDYJPQA-UHFFFAOYSA-N
XLogP3.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.13
LogP ≤ 53.92
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'}

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Related Compounds

5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
CID 17351821
5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide
CID 17351738
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
5-bromo-2-hexoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide
CID 17343868
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206
5-bromo-N'-(2-indol-1-ylacetyl)-2-propoxybenzohydrazide
CID 17080388
N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide
CID 17357364
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide?
The IUPAC name of 5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide (CID 17351725) is 5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide is CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I.
What is the InChIKey of 5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide?
The InChIKey is STVDXKPGDYJPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrIN2O3/c1-2-9-24-15-8-7-11(18)10-13(15)17(23)21-20-16(22)12-5-3-4-6-14(12)19/h3-8,10H,2,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide?
5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide has a molecular weight of 503.13 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide is sourced from PubChem (CID 17351725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).