N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide

C26H21BrN2O2 — CID 85032915

IUPACN-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12
InChIInChI=1S/C26H21BrN2O2/c27-22-11-6-9-20(15-22)18-31-25-14-13-21-10-4-5-12-23(21)24(25)17-28-29-26(30)16-19-7-2-1-3-8-19/h1-15,17H,16,18H2,(H,29,30)
InChIKeyPHZPLRUTMBMDGI-UHFFFAOYSA-N
MW473.37 g/mol
LogP5.87
Rot. Bonds7

About N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide

N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide (PubChem CID 85032915) has the molecular formula C26H21BrN2O2 and a molecular weight of 473.37 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
PubChem CID85032915
Molecular FormulaC26H21BrN2O2
Molecular Weight473.37 g/mol
Exact Mass472.08
IUPAC NameN-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12
InChIInChI=1S/C26H21BrN2O2/c27-22-11-6-9-20(15-22)18-31-25-14-13-21-10-4-5-12-23(21)24(25)17-28-29-26(30)16-19-7-2-1-3-8-19/h1-15,17H,16,18H2,(H,29,30)
InChIKeyPHZPLRUTMBMDGI-UHFFFAOYSA-N
XLogP5.87
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.37
LogP ≤ 55.87
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-(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-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6106773
2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide
CID 19061642
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
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
2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061640
2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061644
N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 25251093
N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 5195606
2-(2,4-dimethylphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 92657960

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide (CID 85032915) is N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12.
What is the InChIKey of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide?
The InChIKey is PHZPLRUTMBMDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrN2O2/c27-22-11-6-9-20(15-22)18-31-25-14-13-21-10-4-5-12-23(21)24(25)17-28-29-26(30)16-19-7-2-1-3-8-19/h1-15,17H,16,18H2,(H,29,30).
What are the key properties of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide?
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide has a molecular weight of 473.37 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 85032915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).