3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide

C22H18ClFN2O2 — CID 126058826

IUPAC3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C22H18ClFN2O2/c1-15-9-10-17(12-20(15)23)22(27)26-25-13-18-6-2-3-8-21(18)28-14-16-5-4-7-19(24)11-16/h2-13H,14H2,1H3,(H,26,27)/b25-13-
InChIKeyHDIAPXGIVOXDGJ-MXAYSNPKSA-N
MW396.85 g/mol
LogP5.13
Rot. Bonds6

About 3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide

3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide (PubChem CID 126058826) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
PubChem CID126058826
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C22H18ClFN2O2/c1-15-9-10-17(12-20(15)23)22(27)26-25-13-18-6-2-3-8-21(18)28-14-16-5-4-7-19(24)11-16/h2-13H,14H2,1H3,(H,26,27)/b25-13-
InChIKeyHDIAPXGIVOXDGJ-MXAYSNPKSA-N
XLogP5.13
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.85
LogP ≤ 55.13
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

3-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126060693
N-[(E)-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126324453
N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 8902994
N-butyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903006
N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126338184
3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3974283
3-chloro-4-methyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126061831
N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903011
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
N-[(E)-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126315930
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061038

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide?
The IUPAC name of 3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide (CID 126058826) is 3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide?
The InChIKey is HDIAPXGIVOXDGJ-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c1-15-9-10-17(12-20(15)23)22(27)26-25-13-18-6-2-3-8-21(18)28-14-16-5-4-7-19(24)11-16/h2-13H,14H2,1H3,(H,26,27)/b25-13-.
What are the key properties of 3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide?
3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide has a molecular weight of 396.85 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 126058826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).