N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide

C14H9ClF2N2O2 — CID 154588493

IUPACN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(F)c1F
InChIInChI=1S/C14H9ClF2N2O2/c15-9-4-5-12(20)8(6-9)7-18-19-14(21)10-2-1-3-11(16)13(10)17/h1-7,20H,(H,19,21)/b18-7+
InChIKeyALJVKHAGXDORSS-CNHKJKLMSA-N
MW310.69 g/mol
LogP3.09
Rot. Bonds3

About N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide (PubChem CID 154588493) has the molecular formula C14H9ClF2N2O2 and a molecular weight of 310.69 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide
PubChem CID154588493
Molecular FormulaC14H9ClF2N2O2
Molecular Weight310.69 g/mol
Exact Mass310.03
IUPAC NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(F)c1F
InChIInChI=1S/C14H9ClF2N2O2/c15-9-4-5-12(20)8(6-9)7-18-19-14(21)10-2-1-3-11(16)13(10)17/h1-7,20H,(H,19,21)/b18-7+
InChIKeyALJVKHAGXDORSS-CNHKJKLMSA-N
XLogP3.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide (CID 154588493) is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide is O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(F)c1F.
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide?
The InChIKey is ALJVKHAGXDORSS-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H9ClF2N2O2/c15-9-4-5-12(20)8(6-9)7-18-19-14(21)10-2-1-3-11(16)13(10)17/h1-7,20H,(H,19,21)/b18-7+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide?
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide has a molecular weight of 310.69 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide is sourced from PubChem (CID 154588493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).