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

C24H18FN3O3 — CID 110842100

IUPACN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C24H18FN3O3/c25-19-8-5-17(6-9-19)16-31-24-14-7-18-3-1-2-4-22(18)23(24)15-26-27-20-10-12-21(13-11-20)28(29)30/h1-15,27H,16H2
InChIKeyQZTHJAIBOGWAPN-UHFFFAOYSA-N
MW415.42 g/mol
LogP5.91
Rot. Bonds7

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

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline (PubChem CID 110842100) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline
PubChem CID110842100
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C24H18FN3O3/c25-19-8-5-17(6-9-19)16-31-24-14-7-18-3-1-2-4-22(18)23(24)15-26-27-20-10-12-21(13-11-20)28(29)30/h1-15,27H,16H2
InChIKeyQZTHJAIBOGWAPN-UHFFFAOYSA-N
XLogP5.91
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.91
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

2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline
CID 5182434
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 4276527
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841844
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide
CID 5168763
2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde
CID 882524
N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
CID 96867531
N-[(E)-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-propoxybenzamide
CID 133169847
4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline
CID 110840761
N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide
CID 45055002
N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126217476
N-[(E)-(2,7-diethoxynaphthalen-1-yl)methylideneamino]-4-nitroaniline
CID 126014539
4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6058956

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline (CID 110842100) is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline is O=[N+]([O-])c1ccc(NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline?
The InChIKey is QZTHJAIBOGWAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c25-19-8-5-17(6-9-19)16-31-24-14-7-18-3-1-2-4-22(18)23(24)15-26-27-20-10-12-21(13-11-20)28(29)30/h1-15,27H,16H2.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline?
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline has a molecular weight of 415.42 g/mol, XLogP of 5.91, 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]-4-nitroaniline is sourced from PubChem (CID 110842100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).