2-bromo-N'-(3-propoxybenzoyl)benzohydrazide

C17H17BrN2O3 — CID 4960218

IUPAC2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
SMILESCCCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-2-10-23-13-7-5-6-12(11-13)16(21)19-20-17(22)14-8-3-4-9-15(14)18/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyDBSUFWHYKPVEGJ-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.31
Rot. Bonds5

About 2-bromo-N'-(3-propoxybenzoyl)benzohydrazide

2-bromo-N'-(3-propoxybenzoyl)benzohydrazide (PubChem CID 4960218) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-bromo-N'-(3-propoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
PubChem CID4960218
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
SMILESCCCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-2-10-23-13-7-5-6-12(11-13)16(21)19-20-17(22)14-8-3-4-9-15(14)18/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyDBSUFWHYKPVEGJ-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17139785
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4981868
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-ethoxybenzamide
CID 4957845
2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
CID 4950819
N-(benzamidocarbamothioyl)-3-propoxybenzamide
CID 4960455
(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone
CID 106647344
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N'-(3-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4956794
4-chloro-2-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 55792202
N-[(2-bromophenyl)carbamothioyl]-3-propoxybenzamide
CID 4960310
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-(3-propoxybenzoyl)benzohydrazide?
The IUPAC name of 2-bromo-N'-(3-propoxybenzoyl)benzohydrazide (CID 4960218) is 2-bromo-N'-(3-propoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2-bromo-N'-(3-propoxybenzoyl)benzohydrazide?
The canonical SMILES for 2-bromo-N'-(3-propoxybenzoyl)benzohydrazide is CCCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N'-(3-propoxybenzoyl)benzohydrazide?
The InChIKey is DBSUFWHYKPVEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-2-10-23-13-7-5-6-12(11-13)16(21)19-20-17(22)14-8-3-4-9-15(14)18/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-bromo-N'-(3-propoxybenzoyl)benzohydrazide?
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide has a molecular weight of 377.24 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-(3-propoxybenzoyl)benzohydrazide is sourced from PubChem (CID 4960218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).