(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide

C19H19BrN2O3 — CID 9370836

IUPAC(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
SMILESCc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)c1
InChIInChI=1S/C19H19BrN2O3/c1-13-5-3-6-15(11-13)9-10-18(23)21-22-19(24)14(2)25-17-8-4-7-16(20)12-17/h3-12,14H,1-2H3,(H,21,23)(H,22,24)/b10-9+/t14-/m0/s1
InChIKeySLKIXLYXFKIDGM-HBWSCVEGSA-N
MW403.28 g/mol
LogP3.39
Rot. Bonds5

About (2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide

(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide (PubChem CID 9370836) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is (2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
PubChem CID9370836
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
SMILESCc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)c1
InChIInChI=1S/C19H19BrN2O3/c1-13-5-3-6-15(11-13)9-10-18(23)21-22-19(24)14(2)25-17-8-4-7-16(20)12-17/h3-12,14H,1-2H3,(H,21,23)(H,22,24)/b10-9+/t14-/m0/s1
InChIKeySLKIXLYXFKIDGM-HBWSCVEGSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.39
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

(2R)-2-(3-bromophenoxy)-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 9370953
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9367296
2-(3-bromophenoxy)-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]propanehydrazide
CID 78783911
2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 76859669
1-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-3-(3-methylphenyl)thiourea
CID 8681401
2-naphthalen-2-yloxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 6234718
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24638289
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]propanehydrazide
CID 8960600
N-[1-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55347885
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
The IUPAC name of (2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide (CID 9370836) is (2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
The canonical SMILES for (2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide is Cc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)c1.
What is the InChIKey of (2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
The InChIKey is SLKIXLYXFKIDGM-HBWSCVEGSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-13-5-3-6-15(11-13)9-10-18(23)21-22-19(24)14(2)25-17-8-4-7-16(20)12-17/h3-12,14H,1-2H3,(H,21,23)(H,22,24)/b10-9+/t14-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide?
(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide has a molecular weight of 403.28 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide is sourced from PubChem (CID 9370836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).