N'-(4-bromobenzoyl)-2-methoxybenzohydrazide

C15H13BrN2O3 — CID 790062

IUPACN'-(4-bromobenzoyl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O3/c1-21-13-5-3-2-4-12(13)15(20)18-17-14(19)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyBFXAIJNTCHJFEH-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.53
Rot. Bonds3

About N'-(4-bromobenzoyl)-2-methoxybenzohydrazide

N'-(4-bromobenzoyl)-2-methoxybenzohydrazide (PubChem CID 790062) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2-methoxybenzohydrazide
PubChem CID790062
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN'-(4-bromobenzoyl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O3/c1-21-13-5-3-2-4-12(13)15(20)18-17-14(19)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyBFXAIJNTCHJFEH-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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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-2-methoxybenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2-methoxybenzohydrazide (CID 790062) is N'-(4-bromobenzoyl)-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2-methoxybenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-2-methoxybenzohydrazide?
The InChIKey is BFXAIJNTCHJFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-21-13-5-3-2-4-12(13)15(20)18-17-14(19)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-bromobenzoyl)-2-methoxybenzohydrazide?
N'-(4-bromobenzoyl)-2-methoxybenzohydrazide 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 N'-(4-bromobenzoyl)-2-methoxybenzohydrazide is sourced from PubChem (CID 790062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).