N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide

C14H9Cl2FN2O2 — CID 137127853

IUPACN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1F
InChIInChI=1S/C14H9Cl2FN2O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,(H,19,21)
InChIKeyFDHGFXMASZFQHM-UHFFFAOYSA-N
MW327.14 g/mol
LogP3.60
Rot. Bonds3

About N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide

N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide (PubChem CID 137127853) has the molecular formula C14H9Cl2FN2O2 and a molecular weight of 327.14 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
PubChem CID137127853
Molecular FormulaC14H9Cl2FN2O2
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1F
InChIInChI=1S/C14H9Cl2FN2O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,(H,19,21)
InChIKeyFDHGFXMASZFQHM-UHFFFAOYSA-N
XLogP3.60
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 53.60
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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Related Compounds

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-[[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamothioylamino]benzamide
CID 135520646
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135613420
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135578608
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981
N-[(Z)-(2-bromophenyl)methylideneamino]-3,5-dichloro-2-hydroxybenzamide
CID 7326637
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135562319
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136794136
cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)
CID 5386751

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide (CID 137127853) is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide is O=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1F.
What is the InChIKey of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide?
The InChIKey is FDHGFXMASZFQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,(H,19,21).
What are the key properties of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide?
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide has a molecular weight of 327.14 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 137127853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).