N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide

C25H18FN3O4 — CID 5168763

IUPACN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide
SMILESO=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C25H18FN3O4/c26-20-11-8-17(9-12-20)16-33-24-13-10-18-4-1-2-7-22(18)23(24)15-27-28-25(30)19-5-3-6-21(14-19)29(31)32/h1-15H,16H2,(H,28,30)
InChIKeyLHMHESJPUIESHG-UHFFFAOYSA-N
MW443.43 g/mol
LogP5.23
Rot. Bonds7

About N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide (PubChem CID 5168763) has the molecular formula C25H18FN3O4 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide
PubChem CID5168763
Molecular FormulaC25H18FN3O4
Molecular Weight443.43 g/mol
Exact Mass443.13
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide
SMILESO=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C25H18FN3O4/c26-20-11-8-17(9-12-20)16-33-24-13-10-18-4-1-2-7-22(18)23(24)15-27-28-25(30)19-5-3-6-21(14-19)29(31)32/h1-15H,16H2,(H,28,30)
InChIKeyLHMHESJPUIESHG-UHFFFAOYSA-N
XLogP5.23
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] acetate
CID 6875938
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 4276527
[1-[[(3-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3-nitrobenzoate
CID 5138498
[1-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 45054435
4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6058956
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline
CID 110842100
N-[(E)-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-propoxybenzamide
CID 133169847
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide
CID 4690397
2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline
CID 5182434
4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6002265
N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6021400
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 N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide (CID 5168763) is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide is O=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide?
The InChIKey is LHMHESJPUIESHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O4/c26-20-11-8-17(9-12-20)16-33-24-13-10-18-4-1-2-7-22(18)23(24)15-27-28-25(30)19-5-3-6-21(14-19)29(31)32/h1-15H,16H2,(H,28,30).
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide?
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide has a molecular weight of 443.43 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 5168763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).