5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide

C15H12ClFN2O2 — CID 6894279

IUPAC5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O2/c1-21-14-7-4-11(16)8-13(14)15(20)19-18-9-10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/b18-9+
InChIKeyRRTBDIUARQCWRT-GIJQJNRQSA-N
MW306.72 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide

5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 6894279) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
PubChem CID6894279
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O2/c1-21-14-7-4-11(16)8-13(14)15(20)19-18-9-10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/b18-9+
InChIKeyRRTBDIUARQCWRT-GIJQJNRQSA-N
XLogP3.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
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

5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 840452
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085
4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide
CID 67494565
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069
2,4-dichloro-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 96885111
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
CID 6737092
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide
CID 24773718
N-[4-chloro-2-[[(4-methylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66637861
5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide
CID 45109213

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide (CID 6894279) is 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is RRTBDIUARQCWRT-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-21-14-7-4-11(16)8-13(14)15(20)19-18-9-10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/b18-9+.
What are the key properties of 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide?
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 306.72 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 6894279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).