2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide

C16H12Cl2FN3O2 — CID 4171005

IUPAC2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide
SMILESO=C(CNC(=O)c1c(F)cccc1Cl)NN=Cc1ccccc1Cl
InChIInChI=1S/C16H12Cl2FN3O2/c17-11-5-2-1-4-10(11)8-21-22-14(23)9-20-16(24)15-12(18)6-3-7-13(15)19/h1-8H,9H2,(H,20,24)(H,22,23)
InChIKeyFUURQRNOBRCURO-UHFFFAOYSA-N
MW368.20 g/mol
LogP3.01
Rot. Bonds5

About 2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide

2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide (PubChem CID 4171005) has the molecular formula C16H12Cl2FN3O2 and a molecular weight of 368.20 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide
PubChem CID4171005
Molecular FormulaC16H12Cl2FN3O2
Molecular Weight368.20 g/mol
Exact Mass367.03
IUPAC Name2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide
SMILESO=C(CNC(=O)c1c(F)cccc1Cl)NN=Cc1ccccc1Cl
InChIInChI=1S/C16H12Cl2FN3O2/c17-11-5-2-1-4-10(11)8-21-22-14(23)9-20-16(24)15-12(18)6-3-7-13(15)19/h1-8H,9H2,(H,20,24)(H,22,23)
InChIKeyFUURQRNOBRCURO-UHFFFAOYSA-N
XLogP3.01
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 53.01
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-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 43948408
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948440
2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
CID 71699766
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
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6036868
2-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3436111
N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6056379
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide (CID 4171005) is 2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide is O=C(CNC(=O)c1c(F)cccc1Cl)NN=Cc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide?
The InChIKey is FUURQRNOBRCURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3O2/c17-11-5-2-1-4-10(11)8-21-22-14(23)9-20-16(24)15-12(18)6-3-7-13(15)19/h1-8H,9H2,(H,20,24)(H,22,23).
What are the key properties of 2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide?
2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide has a molecular weight of 368.20 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide is sourced from PubChem (CID 4171005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).