(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide

C18H15Cl3N2O3 — CID 19167523

IUPAC(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide
SMILESCc1cc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C18H15Cl3N2O3/c1-11-8-14(5-6-15(11)20)26-10-18(25)23-22-17(24)7-3-12-2-4-13(19)9-16(12)21/h2-9H,10H2,1H3,(H,22,24)(H,23,25)/b7-3+
InChIKeyMMPOGZOIAHWXRP-XVNBXDOJSA-N
MW413.69 g/mol
LogP4.19
Rot. Bonds5

About (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide

(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide (PubChem CID 19167523) has the molecular formula C18H15Cl3N2O3 and a molecular weight of 413.69 g/mol. Its IUPAC name is (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide
PubChem CID19167523
Molecular FormulaC18H15Cl3N2O3
Molecular Weight413.69 g/mol
Exact Mass412.01
IUPAC Name(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide
SMILESCc1cc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C18H15Cl3N2O3/c1-11-8-14(5-6-15(11)20)26-10-18(25)23-22-17(24)7-3-12-2-4-13(19)9-16(12)21/h2-9H,10H2,1H3,(H,22,24)(H,23,25)/b7-3+
InChIKeyMMPOGZOIAHWXRP-XVNBXDOJSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.69
LogP ≤ 54.19
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

2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
(E)-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 6134648
(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 18230911
3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide
CID 4507139
N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3546274
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea
CID 4922809
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 6232626
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide (CID 19167523) is (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide is Cc1cc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1Cl.
What is the InChIKey of (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide?
The InChIKey is MMPOGZOIAHWXRP-XVNBXDOJSA-N. The full InChI is InChI=1S/C18H15Cl3N2O3/c1-11-8-14(5-6-15(11)20)26-10-18(25)23-22-17(24)7-3-12-2-4-13(19)9-16(12)21/h2-9H,10H2,1H3,(H,22,24)(H,23,25)/b7-3+.
What are the key properties of (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide?
(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide has a molecular weight of 413.69 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 19167523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).