N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide

C21H16ClFN2O2 — CID 6046862

IUPACN-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1F
InChIInChI=1S/C21H16ClFN2O2/c22-17-10-8-15(9-11-17)14-27-18-5-3-4-16(12-18)13-24-25-21(26)19-6-1-2-7-20(19)23/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyKHSRGSUOBZKNGB-CFRMEGHHSA-N
MW382.82 g/mol
LogP4.82
Rot. Bonds6

About N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide

N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide (PubChem CID 6046862) has the molecular formula C21H16ClFN2O2 and a molecular weight of 382.82 g/mol. Its IUPAC name is N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
PubChem CID6046862
Molecular FormulaC21H16ClFN2O2
Molecular Weight382.82 g/mol
Exact Mass382.09
IUPAC NameN-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1F
InChIInChI=1S/C21H16ClFN2O2/c22-17-10-8-15(9-11-17)14-27-18-5-3-4-16(12-18)13-24-25-21(26)19-6-1-2-7-20(19)23/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyKHSRGSUOBZKNGB-CFRMEGHHSA-N
XLogP4.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 54.82
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

N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
CID 126078187
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4646183
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 4673369
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 6182256
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide (CID 6046862) is N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide is O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1F.
What is the InChIKey of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide?
The InChIKey is KHSRGSUOBZKNGB-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H16ClFN2O2/c22-17-10-8-15(9-11-17)14-27-18-5-3-4-16(12-18)13-24-25-21(26)19-6-1-2-7-20(19)23/h1-13H,14H2,(H,25,26)/b24-13-.
What are the key properties of N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide?
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide has a molecular weight of 382.82 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 6046862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).