[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

C20H22ClN3O5 — CID 7433204

IUPAC[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C20H22ClN3O5/c1-3-24(4-2)15-8-5-13(6-9-15)19(27)23-22-18(26)12-29-20(28)16-11-14(21)7-10-17(16)25/h5-11,25H,3-4,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyUIRGXCYNFSFBRS-UHFFFAOYSA-N
MW419.87 g/mol
LogP2.51
Rot. Bonds7

About [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (PubChem CID 7433204) has the molecular formula C20H22ClN3O5 and a molecular weight of 419.87 g/mol. Its IUPAC name is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
PubChem CID7433204
Molecular FormulaC20H22ClN3O5
Molecular Weight419.87 g/mol
Exact Mass419.12
IUPAC Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C20H22ClN3O5/c1-3-24(4-2)15-8-5-13(6-9-15)19(27)23-22-18(26)12-29-20(28)16-11-14(21)7-10-17(16)25/h5-11,25H,3-4,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyUIRGXCYNFSFBRS-UHFFFAOYSA-N
XLogP2.51
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771372
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7433129
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7434489
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7433550
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7432008
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] pyrazine-2-carboxylate
CID 7432805
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
CID 7434037
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55313953
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-chloro-2-hydroxybenzoate
CID 9286346
5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide
CID 55902498

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (CID 7433204) is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The InChIKey is UIRGXCYNFSFBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5/c1-3-24(4-2)15-8-5-13(6-9-15)19(27)23-22-18(26)12-29-20(28)16-11-14(21)7-10-17(16)25/h5-11,25H,3-4,12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate has a molecular weight of 419.87 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 7433204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).