[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate

C20H19ClN2O5 — CID 5435092

IUPAC[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate
SMILESCCC(=O)Oc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)c(OC(=O)CC)c1
InChIInChI=1S/C20H19ClN2O5/c1-3-18(24)27-16-10-7-14(17(11-16)28-19(25)4-2)12-22-23-20(26)13-5-8-15(21)9-6-13/h5-12H,3-4H2,1-2H3,(H,23,26)/b22-12-
InChIKeyHLGOWZQBKIXQTH-UUYOSTAYSA-N
MW402.83 g/mol
LogP3.73
Rot. Bonds7

About [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate

[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate (PubChem CID 5435092) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate.

Molecular Properties

Compound Name[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate
PubChem CID5435092
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC Name[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate
SMILESCCC(=O)Oc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)c(OC(=O)CC)c1
InChIInChI=1S/C20H19ClN2O5/c1-3-18(24)27-16-10-7-14(17(11-16)28-19(25)4-2)12-22-23-20(26)13-5-8-15(21)9-6-13/h5-12H,3-4H2,1-2H3,(H,23,26)/b22-12-
InChIKeyHLGOWZQBKIXQTH-UUYOSTAYSA-N
XLogP3.73
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 4079306
[3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4646056
[3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 6271069
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 124508573
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
CID 691020
[3-benzoyloxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 4530969
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577243
4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide
CID 3312356
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6182484
[4-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 6058007

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate?
The IUPAC name of [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate (CID 5435092) is [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate.
What is the SMILES notation for [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate?
The canonical SMILES for [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate is CCC(=O)Oc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)c(OC(=O)CC)c1.
What is the InChIKey of [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate?
The InChIKey is HLGOWZQBKIXQTH-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H19ClN2O5/c1-3-18(24)27-16-10-7-14(17(11-16)28-19(25)4-2)12-22-23-20(26)13-5-8-15(21)9-6-13/h5-12H,3-4H2,1-2H3,(H,23,26)/b22-12-.
What are the key properties of [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate?
[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate has a molecular weight of 402.83 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-propanoyloxyphenyl] propanoate is sourced from PubChem (CID 5435092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).