(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide

C18H17BrN2O3 — CID 9370953

IUPAC(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H17BrN2O3/c1-13(24-16-9-5-8-15(19)12-16)18(23)21-20-17(22)11-10-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,22)(H,21,23)/b11-10+/t13-/m1/s1
InChIKeyRTWOYSMVIQLUCY-OCHBPSSRSA-N
MW389.25 g/mol
LogP3.08
Rot. Bonds5

About (2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide

(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide (PubChem CID 9370953) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
PubChem CID9370953
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
SMILESC[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H17BrN2O3/c1-13(24-16-9-5-8-15(19)12-16)18(23)21-20-17(22)11-10-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,22)(H,21,23)/b11-10+/t13-/m1/s1
InChIKeyRTWOYSMVIQLUCY-OCHBPSSRSA-N
XLogP3.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
2-naphthalen-2-yloxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 6234718
2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide
CID 78783911
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9367296
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24638289
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
1-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-3-(3-methylphenyl)thiourea
CID 8681401

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide (CID 9370953) is (2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide is C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide?
The InChIKey is RTWOYSMVIQLUCY-OCHBPSSRSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-13(24-16-9-5-8-15(19)12-16)18(23)21-20-17(22)11-10-14-6-3-2-4-7-14/h2-13H,1H3,(H,20,22)(H,21,23)/b11-10+/t13-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide?
(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide has a molecular weight of 389.25 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide is sourced from PubChem (CID 9370953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).