2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide

C17H17BrN2O4 — CID 78783911

IUPAC2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)C(C)Oc2cccc(Br)c2)o1
InChIInChI=1S/C17H17BrN2O4/c1-11-6-7-14(23-11)8-9-16(21)19-20-17(22)12(2)24-15-5-3-4-13(18)10-15/h3-10,12H,1-2H3,(H,19,21)(H,20,22)/b9-8+
InChIKeyMWTNEJKJQKHULL-CMDGGOBGSA-N
MW393.24 g/mol
LogP2.98
Rot. Bonds5

About 2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide

2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide (PubChem CID 78783911) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide
PubChem CID78783911
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)C(C)Oc2cccc(Br)c2)o1
InChIInChI=1S/C17H17BrN2O4/c1-11-6-7-14(23-11)8-9-16(21)19-20-17(22)12(2)24-15-5-3-4-13(18)10-15/h3-10,12H,1-2H3,(H,19,21)(H,20,22)/b9-8+
InChIKeyMWTNEJKJQKHULL-CMDGGOBGSA-N
XLogP2.98
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.98
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

(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9370836
(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 9370953
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
1-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-3-(3-methylphenyl)thiourea
CID 8681401
N'-[2-(3-bromophenoxy)propanoyl]-5-methyl-1-benzofuran-2-carbohydrazide
CID 60550621
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]propanehydrazide
CID 7779836
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9367296
2-naphthalen-2-yloxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 6234718
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide?
The IUPAC name of 2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide (CID 78783911) is 2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide is Cc1ccc(/C=C/C(=O)NNC(=O)C(C)Oc2cccc(Br)c2)o1.
What is the InChIKey of 2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide?
The InChIKey is MWTNEJKJQKHULL-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-11-6-7-14(23-11)8-9-16(21)19-20-17(22)12(2)24-15-5-3-4-13(18)10-15/h3-10,12H,1-2H3,(H,19,21)(H,20,22)/b9-8+.
What are the key properties of 2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide?
2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide has a molecular weight of 393.24 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide is sourced from PubChem (CID 78783911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).