2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide

C10H7Cl2N3O2 — CID 135452430

IUPAC2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H7Cl2N3O2/c11-7-3-6(10(17)8(12)4-7)5-14-15-9(16)1-2-13/h3-5,17H,1H2,(H,15,16)/b14-5+
InChIKeyGGZWKNIMUFJINN-LHHJGKSTSA-N
MW272.09 g/mol
LogP2.06
Rot. Bonds3

About 2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide

2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135452430) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135452430
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H7Cl2N3O2/c11-7-3-6(10(17)8(12)4-7)5-14-15-9(16)1-2-13/h3-5,17H,1H2,(H,15,16)/b14-5+
InChIKeyGGZWKNIMUFJINN-LHHJGKSTSA-N
XLogP2.06
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide (CID 135452430) is 2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is N#CCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is GGZWKNIMUFJINN-LHHJGKSTSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-7-3-6(10(17)8(12)4-7)5-14-15-9(16)1-2-13/h3-5,17H,1H2,(H,15,16)/b14-5+.
What are the key properties of 2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide?
2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 272.09 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135452430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).