3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide

C17H21BrN2O4 — CID 9376197

IUPAC3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide
SMILESCCOc1c(Br)cc(C(=O)NNC(=O)C[C@@H]2C=CCC2)cc1OC
InChIInChI=1S/C17H21BrN2O4/c1-3-24-16-13(18)9-12(10-14(16)23-2)17(22)20-19-15(21)8-11-6-4-5-7-11/h4,6,9-11H,3,5,7-8H2,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyMJIUEGWZJRHVKJ-LLVKDONJSA-N
MW397.27 g/mol
LogP2.97
Rot. Bonds6

About 3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide

3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide (PubChem CID 9376197) has the molecular formula C17H21BrN2O4 and a molecular weight of 397.27 g/mol. Its IUPAC name is 3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide
PubChem CID9376197
Molecular FormulaC17H21BrN2O4
Molecular Weight397.27 g/mol
Exact Mass396.07
IUPAC Name3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide
SMILESCCOc1c(Br)cc(C(=O)NNC(=O)C[C@@H]2C=CCC2)cc1OC
InChIInChI=1S/C17H21BrN2O4/c1-3-24-16-13(18)9-12(10-14(16)23-2)17(22)20-19-15(21)8-11-6-4-5-7-11/h4,6,9-11H,3,5,7-8H2,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyMJIUEGWZJRHVKJ-LLVKDONJSA-N
XLogP2.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-ethoxy-N'-[2-(1H-indol-3-yl)acetyl]-5-methoxybenzohydrazide
CID 39972648
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2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 119213204
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
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CID 51279320
3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509775
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119625749
3-bromo-4-ethoxy-N-(heptan-4-ylideneamino)-5-methoxybenzamide
CID 9466612
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 35794749

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide (CID 9376197) is 3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide is CCOc1c(Br)cc(C(=O)NNC(=O)C[C@@H]2C=CCC2)cc1OC.
What is the InChIKey of 3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide?
The InChIKey is MJIUEGWZJRHVKJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21BrN2O4/c1-3-24-16-13(18)9-12(10-14(16)23-2)17(22)20-19-15(21)8-11-6-4-5-7-11/h4,6,9-11H,3,5,7-8H2,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of 3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide?
3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide has a molecular weight of 397.27 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-ethoxy-5-methoxybenzohydrazide is sourced from PubChem (CID 9376197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).