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

C17H16BrN3O5 — CID 17351738

IUPAC5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide
SMILESCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H16BrN3O5/c1-2-9-26-15-8-7-11(18)10-13(15)17(23)20-19-16(22)12-5-3-4-6-14(12)21(24)25/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyBKBPUQRVLFUJAI-UHFFFAOYSA-N
MW422.24 g/mol
LogP3.22
Rot. Bonds6

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

5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide (PubChem CID 17351738) has the molecular formula C17H16BrN3O5 and a molecular weight of 422.24 g/mol. Its IUPAC name is 5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide
PubChem CID17351738
Molecular FormulaC17H16BrN3O5
Molecular Weight422.24 g/mol
Exact Mass421.03
IUPAC Name5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide
SMILESCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H16BrN3O5/c1-2-9-26-15-8-7-11(18)10-13(15)17(23)20-19-16(22)12-5-3-4-6-14(12)21(24)25/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyBKBPUQRVLFUJAI-UHFFFAOYSA-N
XLogP3.22
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.24
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-iodobenzoyl)-2-propoxybenzohydrazide
CID 17351725
5-bromo-2-(2-methylpropoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 17051292
5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
CID 17351821
2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
CID 55460788
4-bromo-2-nitro-1-propoxybenzene
CID 61373992
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-nitrobenzamide
CID 46657865
5-bromo-2-hexoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide
CID 17343868
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-[[(2-nitrobenzoyl)amino]carbamothioyl]-2-pentoxybenzamide
CID 4947300
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide?
The IUPAC name of 5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide (CID 17351738) is 5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide is CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide?
The InChIKey is BKBPUQRVLFUJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O5/c1-2-9-26-15-8-7-11(18)10-13(15)17(23)20-19-16(22)12-5-3-4-6-14(12)21(24)25/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide?
5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide has a molecular weight of 422.24 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide is sourced from PubChem (CID 17351738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).