4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide

C25H18ClFN2O2 — CID 6058956

IUPAC4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClFN2O2/c26-20-10-7-19(8-11-20)25(30)29-28-15-23-22-4-2-1-3-18(22)9-14-24(23)31-16-17-5-12-21(27)13-6-17/h1-15H,16H2,(H,29,30)/b28-15-
InChIKeyAJLIEIUKRRAICK-MBTHVWNTSA-N
MW432.88 g/mol
LogP5.98
Rot. Bonds6

About 4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide

4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide (PubChem CID 6058956) has the molecular formula C25H18ClFN2O2 and a molecular weight of 432.88 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
PubChem CID6058956
Molecular FormulaC25H18ClFN2O2
Molecular Weight432.88 g/mol
Exact Mass432.10
IUPAC Name4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClFN2O2/c26-20-10-7-19(8-11-20)25(30)29-28-15-23-22-4-2-1-3-18(22)9-14-24(23)31-16-17-5-12-21(27)13-6-17/h1-15H,16H2,(H,29,30)/b28-15-
InChIKeyAJLIEIUKRRAICK-MBTHVWNTSA-N
XLogP5.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.88
LogP ≤ 55.98
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

2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6031148
4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6002265
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide
CID 4690397
4-chloro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 7933000
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 5125283
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide
CID 5168763
N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6021400
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzamide
CID 126038007
[1-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 45054760
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395824
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N'-(2-fluorophenyl)-2-methylpropanediamide
CID 3998585
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6111701

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide (CID 6058956) is 4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide is O=C(N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
The InChIKey is AJLIEIUKRRAICK-MBTHVWNTSA-N. The full InChI is InChI=1S/C25H18ClFN2O2/c26-20-10-7-19(8-11-20)25(30)29-28-15-23-22-4-2-1-3-18(22)9-14-24(23)31-16-17-5-12-21(27)13-6-17/h1-15H,16H2,(H,29,30)/b28-15-.
What are the key properties of 4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide has a molecular weight of 432.88 g/mol, XLogP of 5.98, 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)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide is sourced from PubChem (CID 6058956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).