(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide

C21H17ClN2O3 — CID 17195601

IUPAC(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NNC(=O)COc1cccc2ccccc12
InChIInChI=1S/C21H17ClN2O3/c22-17-11-8-15(9-12-17)10-13-20(25)23-24-21(26)14-27-19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,14H2,(H,23,25)(H,24,26)/b13-10+
InChIKeyJJZFZEZWGMEREB-JLHYYAGUSA-N
MW380.83 g/mol
LogP3.73
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide

(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide (PubChem CID 17195601) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
PubChem CID17195601
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NNC(=O)COc1cccc2ccccc12
InChIInChI=1S/C21H17ClN2O3/c22-17-11-8-15(9-12-17)10-13-20(25)23-24-21(26)14-27-19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,14H2,(H,23,25)(H,24,26)/b13-10+
InChIKeyJJZFZEZWGMEREB-JLHYYAGUSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.73
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-(3,4-dihydroxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
CID 162670976
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5191338
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
(E)-3-(4-ethoxyphenyl)-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]prop-2-enamide
CID 17227671
3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 78573422
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
CID 9470192
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
(E)-N'-[2-(2-methylphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 6297721
(E)-N'-[2-(2,3-dimethylphenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 17343908
(E)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6120896
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide (CID 17195601) is (E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide is O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)COc1cccc2ccccc12.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide?
The InChIKey is JJZFZEZWGMEREB-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-17-11-8-15(9-12-17)10-13-20(25)23-24-21(26)14-27-19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,14H2,(H,23,25)(H,24,26)/b13-10+.
What are the key properties of (E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide?
(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide has a molecular weight of 380.83 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide is sourced from PubChem (CID 17195601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).