N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide

C23H19ClFN3O3 — CID 6870223

IUPACN-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccccc2F)cc1
InChIInChI=1S/C23H19ClFN3O3/c1-15-19(24)6-4-8-21(15)27-23(30)16-9-11-18(12-10-16)31-14-22(29)28-26-13-17-5-2-3-7-20(17)25/h2-13H,14H2,1H3,(H,27,30)(H,28,29)/b26-13+
InChIKeyJTGSCZUXPYTUSD-LGJNPRDNSA-N
MW439.87 g/mol
LogP4.57
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide

N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide (PubChem CID 6870223) has the molecular formula C23H19ClFN3O3 and a molecular weight of 439.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
PubChem CID6870223
Molecular FormulaC23H19ClFN3O3
Molecular Weight439.87 g/mol
Exact Mass439.11
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccccc2F)cc1
InChIInChI=1S/C23H19ClFN3O3/c1-15-19(24)6-4-8-21(15)27-23(30)16-9-11-18(12-10-16)31-14-22(29)28-26-13-17-5-2-3-7-20(17)25/h2-13H,14H2,1H3,(H,27,30)(H,28,29)/b26-13+
InChIKeyJTGSCZUXPYTUSD-LGJNPRDNSA-N
XLogP4.57
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870238
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870236
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135572064
N-(3-chloro-2-methylphenyl)-4-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 1194234
N-(3-chloro-2-methylphenyl)-4-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzamide
CID 6870235
4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide
CID 1191658
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
CID 55899034
N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176108
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 6287016
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2695109

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide (CID 6870223) is N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccccc2F)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
The InChIKey is JTGSCZUXPYTUSD-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H19ClFN3O3/c1-15-19(24)6-4-8-21(15)27-23(30)16-9-11-18(12-10-16)31-14-22(29)28-26-13-17-5-2-3-7-20(17)25/h2-13H,14H2,1H3,(H,27,30)(H,28,29)/b26-13+.
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide?
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide has a molecular weight of 439.87 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 6870223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).