N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide

C17H17BrN2O4 — CID 4629485

IUPACN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)C=Cc2ccco2)c(Br)c1
InChIInChI=1S/C17H17BrN2O4/c1-2-12-5-7-15(14(18)10-12)24-11-17(22)20-19-16(21)8-6-13-4-3-9-23-13/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyAECVEPRTWNPNMR-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.84
Rot. Bonds6

About N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide

N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide (PubChem CID 4629485) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
PubChem CID4629485
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC NameN'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)C=Cc2ccco2)c(Br)c1
InChIInChI=1S/C17H17BrN2O4/c1-2-12-5-7-15(14(18)10-12)24-11-17(22)20-19-16(21)8-6-13-4-3-9-23-13/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyAECVEPRTWNPNMR-UHFFFAOYSA-N
XLogP2.84
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4500595
(E)-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6168892
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4505545
(E)-N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6296824
N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 5192439
(E)-N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 6123131
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide
CID 78537225
2-(2-bromo-4-methylphenoxy)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 46501110
3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 1191602
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide?
The IUPAC name of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide (CID 4629485) is N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide is CCc1ccc(OCC(=O)NNC(=O)C=Cc2ccco2)c(Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide?
The InChIKey is AECVEPRTWNPNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-2-12-5-7-15(14(18)10-12)24-11-17(22)20-19-16(21)8-6-13-4-3-9-23-13/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide?
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide has a molecular weight of 393.24 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 4629485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).