(E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide

C24H18ClN3O3 — CID 24636166

IUPAC(E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)/C=C/c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C24H18ClN3O3/c25-22-4-2-1-3-20(22)11-14-23(29)27-28-24(30)16-31-21-12-9-19(10-13-21)18-7-5-17(15-26)6-8-18/h1-14H,16H2,(H,27,29)(H,28,30)/b14-11+
InChIKeyLQDJSDIPAQDEIQ-SDNWHVSQSA-N
MW431.88 g/mol
LogP4.12
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide

(E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide (PubChem CID 24636166) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide
PubChem CID24636166
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC Name(E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)/C=C/c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C24H18ClN3O3/c25-22-4-2-1-3-20(22)11-14-23(29)27-28-24(30)16-31-21-12-9-19(10-13-21)18-7-5-17(15-26)6-8-18/h1-14H,16H2,(H,27,29)(H,28,30)/b14-11+
InChIKeyLQDJSDIPAQDEIQ-SDNWHVSQSA-N
XLogP4.12
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.12
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

3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide
CID 4507139
N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 4612064
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N'-[2-(4-cyanophenoxy)acetyl]prop-2-enehydrazide
CID 9471671
methyl 5-[(E)-3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 24559619
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 6232626
4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid
CID 3272793
(4-cyanophenyl)methyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 6055047
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enehydrazide
CID 9471674
N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 129437635
(E)-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 6134648
(E)-N'-[2-(4-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9140747
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide (CID 24636166) is (E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide is N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)/C=C/c3ccccc3Cl)cc2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide?
The InChIKey is LQDJSDIPAQDEIQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c25-22-4-2-1-3-20(22)11-14-23(29)27-28-24(30)16-31-21-12-9-19(10-13-21)18-7-5-17(15-26)6-8-18/h1-14H,16H2,(H,27,29)(H,28,30)/b14-11+.
What are the key properties of (E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide?
(E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide has a molecular weight of 431.88 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide is sourced from PubChem (CID 24636166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).