(E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide

C23H19BrN2O3 — CID 26840564

IUPAC(E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1ccccc1Br)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C23H19BrN2O3/c24-20-12-6-4-10-18(20)14-15-22(27)25-26-23(28)16-29-21-13-7-5-11-19(21)17-8-2-1-3-9-17/h1-15H,16H2,(H,25,27)(H,26,28)/b15-14+
InChIKeyKTQFJOWNELMHLV-CCEZHUSRSA-N
MW451.32 g/mol
LogP4.36
Rot. Bonds6

About (E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide

(E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide (PubChem CID 26840564) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
PubChem CID26840564
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC Name(E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1ccccc1Br)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C23H19BrN2O3/c24-20-12-6-4-10-18(20)14-15-22(27)25-26-23(28)16-29-21-13-7-5-11-19(21)17-8-2-1-3-9-17/h1-15H,16H2,(H,25,27)(H,26,28)/b15-14+
InChIKeyKTQFJOWNELMHLV-CCEZHUSRSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.36
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

3-naphthalen-1-yl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5089375
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
(E)-N'-[2-(2-phenylphenoxy)acetyl]-3-quinoxalin-2-ylprop-2-enehydrazide
CID 26840468
3-naphthalen-1-yl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 3514149
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 6182233
(E)-3-(2-bromophenyl)-N'-[2-(3,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 9470661
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
2-bromo-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3509710
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 6232626

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide (CID 26840564) is (E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide is O=C(/C=C/c1ccccc1Br)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of (E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is KTQFJOWNELMHLV-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c24-20-12-6-4-10-18(20)14-15-22(27)25-26-23(28)16-29-21-13-7-5-11-19(21)17-8-2-1-3-9-17/h1-15H,16H2,(H,25,27)(H,26,28)/b15-14+.
What are the key properties of (E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide?
(E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 451.32 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 26840564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).