2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide

C17H15BrN2O — CID 3411206

IUPAC2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
SMILESO=C(NN=C1CCCc2ccccc21)c1ccccc1Br
InChIInChI=1S/C17H15BrN2O/c18-15-10-4-3-9-14(15)17(21)20-19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2,(H,20,21)
InChIKeyVJHFHVPVPMMMIR-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.92
Rot. Bonds2

About 2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide

2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide (PubChem CID 3411206) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
PubChem CID3411206
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
SMILESO=C(NN=C1CCCc2ccccc21)c1ccccc1Br
InChIInChI=1S/C17H15BrN2O/c18-15-10-4-3-9-14(15)17(21)20-19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2,(H,20,21)
InChIKeyVJHFHVPVPMMMIR-UHFFFAOYSA-N
XLogP3.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
CID 840700
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
CID 6525291
2-[(2-chlorophenyl)methoxy]-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 5203268
2-bromo-N-[(3-oxocyclohexylidene)amino]benzamide
CID 3943626
2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide
CID 6529503
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxy-2-phenylacetamide
CID 2851357
(4E)-4-[(2-bromobenzoyl)hydrazinylidene]-N,N,3-trimethyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156958
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide
CID 27493701

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide?
The IUPAC name of 2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide (CID 3411206) is 2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide.
What is the SMILES notation for 2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide?
The canonical SMILES for 2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide is O=C(NN=C1CCCc2ccccc21)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide?
The InChIKey is VJHFHVPVPMMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-15-10-4-3-9-14(15)17(21)20-19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2,(H,20,21).
What are the key properties of 2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide?
2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide has a molecular weight of 343.22 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide is sourced from PubChem (CID 3411206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).