2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide

C15H12Cl2FN3O — CID 71699766

IUPAC2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(F)c1Cl)N/N=C/c1ccccc1Cl
InChIInChI=1S/C15H12Cl2FN3O/c16-11-5-2-1-4-10(11)8-20-21-14(22)9-19-13-7-3-6-12(18)15(13)17/h1-8,19H,9H2,(H,21,22)/b20-8+
InChIKeyHGWFRRPDGLMRNV-DNTJNYDQSA-N
MW340.19 g/mol
LogP3.69
Rot. Bonds5

About 2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide

2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide (PubChem CID 71699766) has the molecular formula C15H12Cl2FN3O and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
PubChem CID71699766
Molecular FormulaC15H12Cl2FN3O
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(F)c1Cl)N/N=C/c1ccccc1Cl
InChIInChI=1S/C15H12Cl2FN3O/c16-11-5-2-1-4-10(11)8-20-21-14(22)9-19-13-7-3-6-12(18)15(13)17/h1-8,19H,9H2,(H,21,22)/b20-8+
InChIKeyHGWFRRPDGLMRNV-DNTJNYDQSA-N
XLogP3.69
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.69
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

2-chloro-N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-6-fluorobenzamide
CID 4171005
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6045668
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3930729
N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(2-fluoroanilino)acetamide
CID 6902694
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 3262359
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594
2-(2-chloroanilino)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 136866501
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948440
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide (CID 71699766) is 2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide is O=C(CNc1cccc(F)c1Cl)N/N=C/c1ccccc1Cl.
What is the InChIKey of 2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide?
The InChIKey is HGWFRRPDGLMRNV-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H12Cl2FN3O/c16-11-5-2-1-4-10(11)8-20-21-14(22)9-19-13-7-3-6-12(18)15(13)17/h1-8,19H,9H2,(H,21,22)/b20-8+.
What are the key properties of 2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide?
2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide has a molecular weight of 340.19 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 71699766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).