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

C25H18BrClN2O2 — CID 4108079

IUPACN-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
SMILESO=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C25H18BrClN2O2/c26-19-8-5-6-17(14-19)16-31-24-13-12-18-7-1-2-9-20(18)22(24)15-28-29-25(30)21-10-3-4-11-23(21)27/h1-15H,16H2,(H,29,30)
InChIKeyCTTRVCCIVUUUHL-UHFFFAOYSA-N
MW493.79 g/mol
LogP6.60
Rot. Bonds6

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

N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide (PubChem CID 4108079) has the molecular formula C25H18BrClN2O2 and a molecular weight of 493.79 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
PubChem CID4108079
Molecular FormulaC25H18BrClN2O2
Molecular Weight493.79 g/mol
Exact Mass492.02
IUPAC NameN-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
SMILESO=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C25H18BrClN2O2/c26-19-8-5-6-17(14-19)16-31-24-13-12-18-7-1-2-9-20(18)22(24)15-28-29-25(30)21-10-3-4-11-23(21)27/h1-15H,16H2,(H,29,30)
InChIKeyCTTRVCCIVUUUHL-UHFFFAOYSA-N
XLogP6.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.79
LogP ≤ 56.60
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

N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide
CID 83290847
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 29147312
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6106773
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
N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6871189

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide?
The IUPAC name of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide (CID 4108079) is N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide?
The canonical SMILES for N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide is O=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccccc1Cl.
What is the InChIKey of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide?
The InChIKey is CTTRVCCIVUUUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrClN2O2/c26-19-8-5-6-17(14-19)16-31-24-13-12-18-7-1-2-9-20(18)22(24)15-28-29-25(30)21-10-3-4-11-23(21)27/h1-15H,16H2,(H,29,30).
What are the key properties of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide?
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide has a molecular weight of 493.79 g/mol, XLogP of 6.60, 6 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-chlorobenzamide is sourced from PubChem (CID 4108079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).