3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide

C19H14BrN3O3 — CID 58858303

IUPAC3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Br)c1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C19H14BrN3O3/c20-15-4-1-3-14(11-15)19(25)23-22-18(24)13-6-8-16(9-7-13)26-17-5-2-10-21-12-17/h1-12H,(H,22,24)(H,23,25)
InChIKeyHJJKYBUIQHDAOP-UHFFFAOYSA-N
MW412.24 g/mol
LogP3.71
Rot. Bonds4

About 3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide

3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide (PubChem CID 58858303) has the molecular formula C19H14BrN3O3 and a molecular weight of 412.24 g/mol. Its IUPAC name is 3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
PubChem CID58858303
Molecular FormulaC19H14BrN3O3
Molecular Weight412.24 g/mol
Exact Mass411.02
IUPAC Name3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(Br)c1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C19H14BrN3O3/c20-15-4-1-3-14(11-15)19(25)23-22-18(24)13-6-8-16(9-7-13)26-17-5-2-10-21-12-17/h1-12H,(H,22,24)(H,23,25)
InChIKeyHJJKYBUIQHDAOP-UHFFFAOYSA-N
XLogP3.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide
CID 60622603
N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide
CID 143062034
[4-[[(3-bromobenzoyl)amino]carbamoyl]phenyl] 3-bromobenzoate
CID 1218977
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11349148
4-pyridin-3-yloxybenzoic acid
CID 22261667
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide
CID 52834353
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide?
The IUPAC name of 3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide (CID 58858303) is 3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide.
What is the SMILES notation for 3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide?
The canonical SMILES for 3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide is O=C(NNC(=O)c1cccc(Br)c1)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide?
The InChIKey is HJJKYBUIQHDAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O3/c20-15-4-1-3-14(11-15)19(25)23-22-18(24)13-6-8-16(9-7-13)26-17-5-2-10-21-12-17/h1-12H,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide?
3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide has a molecular weight of 412.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide is sourced from PubChem (CID 58858303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).