[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

C20H19ClN2O5 — CID 7849579

IUPAC[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)/C=C/c1ccccc1C
InChIInChI=1S/C20H19ClN2O5/c1-13-5-3-4-6-14(13)7-10-19(25)28-12-18(24)22-23-20(26)16-11-15(21)8-9-17(16)27-2/h3-11H,12H2,1-2H3,(H,22,24)(H,23,26)/b10-7+
InChIKeyPFCIJLFYEBSRPL-JXMROGBWSA-N
MW402.83 g/mol
LogP2.67
Rot. Bonds6

About [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate (PubChem CID 7849579) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
PubChem CID7849579
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)/C=C/c1ccccc1C
InChIInChI=1S/C20H19ClN2O5/c1-13-5-3-4-6-14(13)7-10-19(25)28-12-18(24)22-23-20(26)16-11-15(21)8-9-17(16)27-2/h3-11H,12H2,1-2H3,(H,22,24)(H,23,26)/b10-7+
InChIKeyPFCIJLFYEBSRPL-JXMROGBWSA-N
XLogP2.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3486784
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2539330
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2494858
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
5-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 24636069
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 8506078
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540331
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate?
The IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate (CID 7849579) is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate.
What is the SMILES notation for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate?
The canonical SMILES for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate is COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)/C=C/c1ccccc1C.
What is the InChIKey of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate?
The InChIKey is PFCIJLFYEBSRPL-JXMROGBWSA-N. The full InChI is InChI=1S/C20H19ClN2O5/c1-13-5-3-4-6-14(13)7-10-19(25)28-12-18(24)22-23-20(26)16-11-15(21)8-9-17(16)27-2/h3-11H,12H2,1-2H3,(H,22,24)(H,23,26)/b10-7+.
What are the key properties of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate?
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate has a molecular weight of 402.83 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate is sourced from PubChem (CID 7849579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).