[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate

C20H23ClN4O4 — CID 7433129

IUPAC[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C20H23ClN4O4/c1-3-25(4-2)15-8-5-13(6-9-15)19(27)24-23-18(26)12-29-20(28)14-7-10-16(21)17(22)11-14/h5-11H,3-4,12,22H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYAUOZPNWWVZSEF-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.39
Rot. Bonds7

About [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate (PubChem CID 7433129) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate.

Molecular Properties

Compound Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate
PubChem CID7433129
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC Name[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C20H23ClN4O4/c1-3-25(4-2)15-8-5-13(6-9-15)19(27)24-23-18(26)12-29-20(28)14-7-10-16(21)17(22)11-14/h5-11H,3-4,12,22H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYAUOZPNWWVZSEF-UHFFFAOYSA-N
XLogP2.39
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7433204
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7434489
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7433550
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510458
[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
[2-oxo-2-(prop-2-enylamino)ethyl] 3-amino-4-chlorobenzoate
CID 2571579
[2-(dimethylamino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7968005
[2-(4-bromoanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571645
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-amino-4-chlorobenzoate
CID 7764978
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-amino-4-chlorobenzoate
CID 7764963

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate?
The IUPAC name of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate (CID 7433129) is [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate.
What is the SMILES notation for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate?
The canonical SMILES for [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate is CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1.
What is the InChIKey of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate?
The InChIKey is YAUOZPNWWVZSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4/c1-3-25(4-2)15-8-5-13(6-9-15)19(27)24-23-18(26)12-29-20(28)14-7-10-16(21)17(22)11-14/h5-11H,3-4,12,22H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate?
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 3-amino-4-chlorobenzoate has a molecular weight of 418.88 g/mol, XLogP of 2.39, 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] 3-amino-4-chlorobenzoate is sourced from PubChem (CID 7433129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).