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

C18H19BrN2O2 — CID 9399855

IUPAC2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide
SMILESCCc1ccc(CCC(=O)NNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-2-13-7-9-14(10-8-13)11-12-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyXBDMEOXGNFKGTA-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.41
Rot. Bonds5

About 2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide

2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide (PubChem CID 9399855) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide
PubChem CID9399855
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide
SMILESCCc1ccc(CCC(=O)NNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-2-13-7-9-14(10-8-13)11-12-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyXBDMEOXGNFKGTA-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethylbenzoate
CID 7775563
2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide
CID 29264655
2-hydroxy-N'-[3-(4-methylphenyl)propanoyl]benzohydrazide
CID 31950720
(2R)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
CID 7460730
(2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
CID 7460728
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
2-bromo-N'-[4-[5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide
CID 4757514
2-bromo-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108539128
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate
CID 7670728
2-chloro-5-[[3-(4-ethylphenyl)propanoylamino]carbamoyl]benzenesulfonamide
CID 9428545

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide (CID 9399855) is 2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide is CCc1ccc(CCC(=O)NNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide?
The InChIKey is XBDMEOXGNFKGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-2-13-7-9-14(10-8-13)11-12-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide?
2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide has a molecular weight of 375.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide is sourced from PubChem (CID 9399855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).