4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C16H12Cl3N3O2 — CID 3496807

IUPAC4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NN=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl3N3O2/c17-12-6-4-10(5-7-12)16(24)20-9-14(23)22-21-8-11-2-1-3-13(18)15(11)19/h1-8H,9H2,(H,20,24)(H,22,23)
InChIKeyUIQMGOLOUSYDQS-UHFFFAOYSA-N
MW384.65 g/mol
LogP3.53
Rot. Bonds5

About 4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 3496807) has the molecular formula C16H12Cl3N3O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID3496807
Molecular FormulaC16H12Cl3N3O2
Molecular Weight384.65 g/mol
Exact Mass383.00
IUPAC Name4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NN=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl3N3O2/c17-12-6-4-10(5-7-12)16(24)20-9-14(23)22-21-8-11-2-1-3-13(18)15(11)19/h1-8H,9H2,(H,20,24)(H,22,23)
InChIKeyUIQMGOLOUSYDQS-UHFFFAOYSA-N
XLogP3.53
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3322894
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6877054
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3859843
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
3-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3258784
4-chloro-N-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4206598
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
[2-[[[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4656103
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
[2-[[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3766631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 3496807) is 4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)NN=Cc1cccc(Cl)c1Cl.
What is the InChIKey of 4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is UIQMGOLOUSYDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N3O2/c17-12-6-4-10(5-7-12)16(24)20-9-14(23)22-21-8-11-2-1-3-13(18)15(11)19/h1-8H,9H2,(H,20,24)(H,22,23).
What are the key properties of 4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 384.65 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3496807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).