[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate

C17H15ClN2O6 — CID 3486784

IUPAC[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C=Cc1ccco1
InChIInChI=1S/C17H15ClN2O6/c1-24-14-6-4-11(18)9-13(14)17(23)20-19-15(21)10-26-16(22)7-5-12-3-2-8-25-12/h2-9H,10H2,1H3,(H,19,21)(H,20,23)
InChIKeyCNAIIGVMQVNFAZ-UHFFFAOYSA-N
MW378.77 g/mol
LogP1.96
Rot. Bonds6

About [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate (PubChem CID 3486784) has the molecular formula C17H15ClN2O6 and a molecular weight of 378.77 g/mol. Its IUPAC name is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
PubChem CID3486784
Molecular FormulaC17H15ClN2O6
Molecular Weight378.77 g/mol
Exact Mass378.06
IUPAC Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C=Cc1ccco1
InChIInChI=1S/C17H15ClN2O6/c1-24-14-6-4-11(18)9-13(14)17(23)20-19-15(21)10-26-16(22)7-5-12-3-2-8-25-12/h2-9H,10H2,1H3,(H,19,21)(H,20,23)
InChIKeyCNAIIGVMQVNFAZ-UHFFFAOYSA-N
XLogP1.96
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.77
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2539330
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2439255
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849579
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2494858
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582114
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852134
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
trans-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019931
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3977727
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5131929

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate (CID 3486784) is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate is COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C=Cc1ccco1.
What is the InChIKey of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The InChIKey is CNAIIGVMQVNFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O6/c1-24-14-6-4-11(18)9-13(14)17(23)20-19-15(21)10-26-16(22)7-5-12-3-2-8-25-12/h2-9H,10H2,1H3,(H,19,21)(H,20,23).
What are the key properties of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate has a molecular weight of 378.77 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 3486784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).