2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide

C26H18BrN3O2 — CID 29147312

IUPAC2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
SMILESN#Cc1cccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C26H18BrN3O2/c27-24-11-4-3-10-22(24)26(31)30-29-16-23-21-9-2-1-8-20(21)12-13-25(23)32-17-19-7-5-6-18(14-19)15-28/h1-14,16H,17H2,(H,30,31)/b29-16-
InChIKeyMSBBNQUVHDRXLV-MWLSYYOVSA-N
MW484.35 g/mol
LogP5.82
Rot. Bonds6

About 2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide

2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide (PubChem CID 29147312) has the molecular formula C26H18BrN3O2 and a molecular weight of 484.35 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
PubChem CID29147312
Molecular FormulaC26H18BrN3O2
Molecular Weight484.35 g/mol
Exact Mass483.06
IUPAC Name2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
SMILESN#Cc1cccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C26H18BrN3O2/c27-24-11-4-3-10-22(24)26(31)30-29-16-23-21-9-2-1-8-20(21)12-13-25(23)32-17-19-7-5-6-18(14-19)15-28/h1-14,16H,17H2,(H,30,31)/b29-16-
InChIKeyMSBBNQUVHDRXLV-MWLSYYOVSA-N
XLogP5.82
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.35
LogP ≤ 55.82
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

2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
2-bromo-N-[(Z)-[3-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29147164
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
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-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 19657881
2-bromo-N-[1-[2-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 4553320
N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061178
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide
CID 4690397
[1-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 6078451
3-[(1-bromonaphthalen-2-yl)oxymethyl]benzonitrile
CID 60623214

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide (CID 29147312) is 2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide is N#Cc1cccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
The InChIKey is MSBBNQUVHDRXLV-MWLSYYOVSA-N. The full InChI is InChI=1S/C26H18BrN3O2/c27-24-11-4-3-10-22(24)26(31)30-29-16-23-21-9-2-1-8-20(21)12-13-25(23)32-17-19-7-5-6-18(14-19)15-28/h1-14,16H,17H2,(H,30,31)/b29-16-.
What are the key properties of 2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide?
2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide has a molecular weight of 484.35 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide is sourced from PubChem (CID 29147312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).