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

C21H16ClFN2O2 — CID 126195239

IUPAC4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClFN2O2/c22-18-10-8-16(9-11-18)21(26)25-24-13-15-4-3-6-19(12-15)27-14-17-5-1-2-7-20(17)23/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyMJJJWZQFDLRIGC-CFRMEGHHSA-N
MW382.82 g/mol
LogP4.82
Rot. Bonds6

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

4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 126195239) has the molecular formula C21H16ClFN2O2 and a molecular weight of 382.82 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID126195239
Molecular FormulaC21H16ClFN2O2
Molecular Weight382.82 g/mol
Exact Mass382.09
IUPAC Name4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClFN2O2/c22-18-10-8-16(9-11-18)21(26)25-24-13-15-4-3-6-19(12-15)27-14-17-5-1-2-7-20(17)23/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyMJJJWZQFDLRIGC-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

4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94847929
4-[(2-fluorophenyl)methoxy]-N-[(Z)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 28922629
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110340733
4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
CID 6046862
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 110340461
4-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126375379

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 126195239) is 4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C\c1cccc(OCc2ccccc2F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is MJJJWZQFDLRIGC-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H16ClFN2O2/c22-18-10-8-16(9-11-18)21(26)25-24-13-15-4-3-6-19(12-15)27-14-17-5-1-2-7-20(17)23/h1-13H,14H2,(H,25,26)/b24-13-.
What are the key properties of 4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide 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 4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 126195239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).