2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide

C27H19ClN2O2 — CID 2367127

IUPAC2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide
SMILESO=C(NN=C1c2ccccc2-c2ccccc21)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C27H19ClN2O2/c28-24-15-7-1-9-18(24)17-32-25-16-8-6-14-23(25)27(31)30-29-26-21-12-4-2-10-19(21)20-11-3-5-13-22(20)26/h1-16H,17H2,(H,30,31)
InChIKeyWQGGEVZBEXDJKI-UHFFFAOYSA-N
MW438.91 g/mol
LogP6.08
Rot. Bonds5

About 2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide

2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide (PubChem CID 2367127) has the molecular formula C27H19ClN2O2 and a molecular weight of 438.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide
PubChem CID2367127
Molecular FormulaC27H19ClN2O2
Molecular Weight438.91 g/mol
Exact Mass438.11
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide
SMILESO=C(NN=C1c2ccccc2-c2ccccc21)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C27H19ClN2O2/c28-24-15-7-1-9-18(24)17-32-25-16-8-6-14-23(25)27(31)30-29-26-21-12-4-2-10-19(21)20-11-3-5-13-22(20)26/h1-16H,17H2,(H,30,31)
InChIKeyWQGGEVZBEXDJKI-UHFFFAOYSA-N
XLogP6.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_zone_A(2)', '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

2-[(2-chlorophenyl)methoxy]-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6536600
2-[(2-chlorophenyl)methoxy]-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6310157
2-[(2-chlorophenyl)methoxy]-N-(2,3-dihydroinden-1-ylideneamino)benzamide
CID 5237892
2-[(2-chlorophenyl)methoxy]-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 5203268
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052
2-[(2-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
CID 2574555
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 2477343
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 135833062
2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 26886312
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
CID 4035879

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide (CID 2367127) is 2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide is O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide?
The InChIKey is WQGGEVZBEXDJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O2/c28-24-15-7-1-9-18(24)17-32-25-16-8-6-14-23(25)27(31)30-29-26-21-12-4-2-10-19(21)20-11-3-5-13-22(20)26/h1-16H,17H2,(H,30,31).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide?
2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide has a molecular weight of 438.91 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide is sourced from PubChem (CID 2367127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).