N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide

C17H17BrN2O3 — CID 35556165

IUPACN'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccccc2)cc1Br
InChIInChI=1S/C17H17BrN2O3/c1-23-15-9-7-12(11-14(15)18)8-10-16(21)19-20-17(22)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyDDIUQYGRLAYXLO-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.85
Rot. Bonds5

About N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide

N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide (PubChem CID 35556165) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
PubChem CID35556165
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccccc2)cc1Br
InChIInChI=1S/C17H17BrN2O3/c1-23-15-9-7-12(11-14(15)18)8-10-16(21)19-20-17(22)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyDDIUQYGRLAYXLO-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 35677956
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide
CID 55585425
3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466173
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
3-phenylpropyl 4-[2-(3-bromo-4-methoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 4934519
(2S)-2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 61137171
3-(3-bromo-4-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315523
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 119188562

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide?
The IUPAC name of N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide (CID 35556165) is N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide?
The canonical SMILES for N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide is COc1ccc(CCC(=O)NNC(=O)c2ccccc2)cc1Br.
What is the InChIKey of N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide?
The InChIKey is DDIUQYGRLAYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-23-15-9-7-12(11-14(15)18)8-10-16(21)19-20-17(22)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide?
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide has a molecular weight of 377.24 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide is sourced from PubChem (CID 35556165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).