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

C17H16N2O2 — CID 4999116

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
SMILESO=C(NN=C1CCCc2ccccc21)c1ccccc1O
InChIInChI=1S/C17H16N2O2/c20-16-11-4-3-9-14(16)17(21)19-18-15-10-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-9,11,20H,5,7,10H2,(H,19,21)
InChIKeyBPJJBIBDXNNAAS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.86
Rot. Bonds2

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

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide (PubChem CID 4999116) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
PubChem CID4999116
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
SMILESO=C(NN=C1CCCc2ccccc21)c1ccccc1O
InChIInChI=1S/C17H16N2O2/c20-16-11-4-3-9-14(16)17(21)19-18-15-10-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-9,11,20H,5,7,10H2,(H,19,21)
InChIKeyBPJJBIBDXNNAAS-UHFFFAOYSA-N
XLogP2.86
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
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-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 3411206
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-hydroxy-N-[[4-[(2-hydroxybenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 4240118
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128
2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide
CID 6529503
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxy-2-phenylacetamide
CID 2851357
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6185796

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide (CID 4999116) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide is O=C(NN=C1CCCc2ccccc21)c1ccccc1O.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide?
The InChIKey is BPJJBIBDXNNAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-11-4-3-9-14(16)17(21)19-18-15-10-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-9,11,20H,5,7,10H2,(H,19,21).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide is sourced from PubChem (CID 4999116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).