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

C17H15Cl2N3O2 — CID 3322894

IUPACN-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NN=Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H15Cl2N3O2/c1-11-5-7-12(8-6-11)17(24)20-10-15(23)22-21-9-13-3-2-4-14(18)16(13)19/h2-9H,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyNCERFICQVQCJJU-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.18
Rot. Bonds5

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

N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 3322894) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
PubChem CID3322894
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC NameN-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NN=Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H15Cl2N3O2/c1-11-5-7-12(8-6-11)17(24)20-10-15(23)22-21-9-13-3-2-4-14(18)16(13)19/h2-9H,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyNCERFICQVQCJJU-UHFFFAOYSA-N
XLogP3.18
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.18
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-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3859843
4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3496807
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 872216
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
4-methyl-N-[2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3859238
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4188604
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265
N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136672598
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
N-[2-[(2E)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 155533933

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide (CID 3322894) is N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NN=Cc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is NCERFICQVQCJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-11-5-7-12(8-6-11)17(24)20-10-15(23)22-21-9-13-3-2-4-14(18)16(13)19/h2-9H,10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 364.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 3322894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).