(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide

C20H21ClN2O3 — CID 9470192

IUPAC(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
SMILESCC(C)c1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClN2O3/c1-14(2)16-10-7-15(8-11-16)9-12-19(24)22-23-20(25)13-26-18-6-4-3-5-17(18)21/h3-12,14H,13H2,1-2H3,(H,22,24)(H,23,25)/b12-9+
InChIKeyAQQOTBDARHQTCU-FMIVXFBMSA-N
MW372.85 g/mol
LogP3.70
Rot. Bonds6

About (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide

(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide (PubChem CID 9470192) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
PubChem CID9470192
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
SMILESCC(C)c1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C20H21ClN2O3/c1-14(2)16-10-7-15(8-11-16)9-12-19(24)22-23-20(25)13-26-18-6-4-3-5-17(18)21/h3-12,14H,13H2,1-2H3,(H,22,24)(H,23,25)/b12-9+
InChIKeyAQQOTBDARHQTCU-FMIVXFBMSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.70
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

(E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide
CID 17227225
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
CID 17195601
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 4632407
(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 2062687
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide
CID 3326196
(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide
CID 7978293
(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6170411
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide
CID 9470311
(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 17343908
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
(E)-3-(4-chlorophenyl)-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 17195854

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide (CID 9470192) is (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide is CC(C)c1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide?
The InChIKey is AQQOTBDARHQTCU-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-14(2)16-10-7-15(8-11-16)9-12-19(24)22-23-20(25)13-26-18-6-4-3-5-17(18)21/h3-12,14H,13H2,1-2H3,(H,22,24)(H,23,25)/b12-9+.
What are the key properties of (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide?
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide has a molecular weight of 372.85 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 9470192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).