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

C15H13BrN2O3 — CID 795259

IUPAC2-bromo-N'-(3-methoxybenzoyl)benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H13BrN2O3/c1-21-11-6-4-5-10(9-11)14(19)17-18-15(20)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyHSFGWSLCLKWCPX-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.53
Rot. Bonds3

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

2-bromo-N'-(3-methoxybenzoyl)benzohydrazide (PubChem CID 795259) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-bromo-N'-(3-methoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-(3-methoxybenzoyl)benzohydrazide
PubChem CID795259
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-bromo-N'-(3-methoxybenzoyl)benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H13BrN2O3/c1-21-11-6-4-5-10(9-11)14(19)17-18-15(20)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyHSFGWSLCLKWCPX-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.53
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

1-Benzoyl-2-(3-methoxybenzoyl)hydrazine
CID 252264
4-Bromo-benzoic acid N'-(2-methoxy-benzoyl)-hydrazide
CID 790062
m-Anisohydrazide
CID 79848
N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide
CID 790093
3-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 795407
3-[(2-Bromophenoxy)methyl]benzohydrazide
CID 840776
3-((3-Bromophenoxy)methyl)benzoic acid hydrazide
CID 843238
3-Bromo-benzoic acid N'-(2-methoxy-benzoyl)-hydrazide
CID 790061
3-Phenoxybenzhydrazide
CID 607488
3-Benzyloxybenzhydrazide
CID 2735491
2-Methoxy-benzoic acid N'-(2-bromo-benzoyl)-hydrazide
CID 790060
3-[(4-Bromophenoxy)methyl]benzohydrazide
CID 4327012

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-(3-methoxybenzoyl)benzohydrazide?
The IUPAC name of 2-bromo-N'-(3-methoxybenzoyl)benzohydrazide (CID 795259) is 2-bromo-N'-(3-methoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2-bromo-N'-(3-methoxybenzoyl)benzohydrazide?
The canonical SMILES for 2-bromo-N'-(3-methoxybenzoyl)benzohydrazide is COc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N'-(3-methoxybenzoyl)benzohydrazide?
The InChIKey is HSFGWSLCLKWCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-21-11-6-4-5-10(9-11)14(19)17-18-15(20)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-bromo-N'-(3-methoxybenzoyl)benzohydrazide?
2-bromo-N'-(3-methoxybenzoyl)benzohydrazide has a molecular weight of 349.18 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-(3-methoxybenzoyl)benzohydrazide is sourced from PubChem (CID 795259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).