N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline

C24H18BrFN2O — CID 162734808

IUPACN-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline
SMILESCOc1cc(C(=NNc2ccccc2)c2ccc(F)cc2)c(Br)c2ccccc12
InChIInChI=1S/C24H18BrFN2O/c1-29-22-15-21(23(25)20-10-6-5-9-19(20)22)24(16-11-13-17(26)14-12-16)28-27-18-7-3-2-4-8-18/h2-15,27H,1H3
InChIKeyDLJKESICXGUHBP-UHFFFAOYSA-N
MW449.32 g/mol
LogP6.61
Rot. Bonds5

About N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline

N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline (PubChem CID 162734808) has the molecular formula C24H18BrFN2O and a molecular weight of 449.32 g/mol. Its IUPAC name is N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline.

Molecular Properties

Compound NameN-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline
PubChem CID162734808
Molecular FormulaC24H18BrFN2O
Molecular Weight449.32 g/mol
Exact Mass448.06
IUPAC NameN-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline
SMILESCOc1cc(C(=NNc2ccccc2)c2ccc(F)cc2)c(Br)c2ccccc12
InChIInChI=1S/C24H18BrFN2O/c1-29-22-15-21(23(25)20-10-6-5-9-19(20)22)24(16-11-13-17(26)14-12-16)28-27-18-7-3-2-4-8-18/h2-15,27H,1H3
InChIKeyDLJKESICXGUHBP-UHFFFAOYSA-N
XLogP6.61
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.32
LogP ≤ 56.61
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-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol
CID 135903575
methyl 2-[(E)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]-1H-indole-3-carboxylate
CID 135889788
1-bromo-4-methoxynaphthalen-2-amine
CID 13160423
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline
CID 8826053
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol
CID 136704880
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide
CID 6520538
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
2-[(4-fluorophenyl)diazenyl]-3,4,5-trimethoxybenzoic acid
CID 118132185
2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4079235

Frequently Asked Questions

What is the IUPAC name of N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline?
The IUPAC name of N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline (CID 162734808) is N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline.
What is the SMILES notation for N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline?
The canonical SMILES for N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline is COc1cc(C(=NNc2ccccc2)c2ccc(F)cc2)c(Br)c2ccccc12.
What is the InChIKey of N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline?
The InChIKey is DLJKESICXGUHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrFN2O/c1-29-22-15-21(23(25)20-10-6-5-9-19(20)22)24(16-11-13-17(26)14-12-16)28-27-18-7-3-2-4-8-18/h2-15,27H,1H3.
What are the key properties of N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline?
N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline has a molecular weight of 449.32 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1-bromo-4-methoxynaphthalen-2-yl)-(4-fluorophenyl)methylidene]amino]aniline is sourced from PubChem (CID 162734808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).