3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide

C16H15BrN2O3 — CID 4509106

IUPAC3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C16H15BrN2O3/c1-10-3-4-12(9-14(10)17)16(21)19-18-15(20)11-5-7-13(22-2)8-6-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyHJZRXCHRIBMIMG-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.84
Rot. Bonds3

About 3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide

3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide (PubChem CID 4509106) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
PubChem CID4509106
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C16H15BrN2O3/c1-10-3-4-12(9-14(10)17)16(21)19-18-15(20)11-5-7-13(22-2)8-6-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyHJZRXCHRIBMIMG-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.84
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-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
N'-(3-bromo-4-methylbenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4509539
(E)-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6117603
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623
3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 4509301
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 78892736
3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
CID 920964
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79676704
3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
CID 4953482
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide?
The IUPAC name of 3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide (CID 4509106) is 3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide.
What is the SMILES notation for 3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide?
The canonical SMILES for 3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide?
The InChIKey is HJZRXCHRIBMIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-10-3-4-12(9-14(10)17)16(21)19-18-15(20)11-5-7-13(22-2)8-6-11/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide?
3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide has a molecular weight of 363.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide is sourced from PubChem (CID 4509106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).