N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide

C26H20BrFN2O3 — CID 6106773

IUPACN-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)N/N=C\c1c(OCc2cccc(Br)c2)ccc2ccccc12
InChIInChI=1S/C26H20BrFN2O3/c27-20-6-3-4-18(14-20)16-33-25-13-8-19-5-1-2-7-23(19)24(25)15-29-30-26(31)17-32-22-11-9-21(28)10-12-22/h1-15H,16-17H2,(H,30,31)/b29-15-
InChIKeyVIEPQUKKRLFCIN-FDVSRXAVSA-N
MW507.36 g/mol
LogP5.85
Rot. Bonds8

About N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide

N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide (PubChem CID 6106773) has the molecular formula C26H20BrFN2O3 and a molecular weight of 507.36 g/mol. Its IUPAC name is N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
PubChem CID6106773
Molecular FormulaC26H20BrFN2O3
Molecular Weight507.36 g/mol
Exact Mass506.06
IUPAC NameN-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)N/N=C\c1c(OCc2cccc(Br)c2)ccc2ccccc12
InChIInChI=1S/C26H20BrFN2O3/c27-20-6-3-4-18(14-20)16-33-25-13-8-19-5-1-2-7-23(19)24(25)15-29-30-26(31)17-32-22-11-9-21(28)10-12-22/h1-15H,16-17H2,(H,30,31)/b29-15-
InChIKeyVIEPQUKKRLFCIN-FDVSRXAVSA-N
XLogP5.85
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.36
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6871189
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide
CID 3249643
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6111701
2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 5065891
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6031148
2-(4-butoxyphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4601287
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 4276527
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
2-(benzenesulfonamido)-N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4599921
2-(benzenesulfonamido)-N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6160921
N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 5195606

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide (CID 6106773) is N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)N/N=C\c1c(OCc2cccc(Br)c2)ccc2ccccc12.
What is the InChIKey of N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide?
The InChIKey is VIEPQUKKRLFCIN-FDVSRXAVSA-N. The full InChI is InChI=1S/C26H20BrFN2O3/c27-20-6-3-4-18(14-20)16-33-25-13-8-19-5-1-2-7-23(19)24(25)15-29-30-26(31)17-32-22-11-9-21(28)10-12-22/h1-15H,16-17H2,(H,30,31)/b29-15-.
What are the key properties of N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide?
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide has a molecular weight of 507.36 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 6106773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).