N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide

C21H32ClN3O2 — CID 3512313

IUPACN-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C21H32ClN3O2/c1-2-3-4-5-6-7-8-9-10-11-20(26)23-17-21(27)25-24-16-18-12-14-19(22)15-13-18/h12-16H,2-11,17H2,1H3,(H,23,26)(H,25,27)
InChIKeyJHTFMCFDXIJTRD-UHFFFAOYSA-N
MW393.96 g/mol
LogP4.83
Rot. Bonds14

About N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide

N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide (PubChem CID 3512313) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
PubChem CID3512313
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC NameN-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C21H32ClN3O2/c1-2-3-4-5-6-7-8-9-10-11-20(26)23-17-21(27)25-24-16-18-12-14-19(22)15-13-18/h12-16H,2-11,17H2,1H3,(H,23,26)(H,25,27)
InChIKeyJHTFMCFDXIJTRD-UHFFFAOYSA-N
XLogP4.83
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3553870
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4056292
N-[2-oxo-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 4228313
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 6261423
2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6117351
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5225840
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3688107
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
CID 3859539
N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6056379
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3458071

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide?
The IUPAC name of N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide (CID 3512313) is N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide.
What is the SMILES notation for N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide?
The canonical SMILES for N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide is CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide?
The InChIKey is JHTFMCFDXIJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3O2/c1-2-3-4-5-6-7-8-9-10-11-20(26)23-17-21(27)25-24-16-18-12-14-19(22)15-13-18/h12-16H,2-11,17H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide?
N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide has a molecular weight of 393.96 g/mol, XLogP of 4.83, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide is sourced from PubChem (CID 3512313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).