N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide

C17H16N2O2 — CID 4646693

IUPACN-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide
SMILESO=C(NN=Cc1ccc2c(c1)CCC2)c1ccc(O)cc1
InChIInChI=1S/C17H16N2O2/c20-16-8-6-14(7-9-16)17(21)19-18-11-12-4-5-13-2-1-3-15(13)10-12/h4-11,20H,1-3H2,(H,19,21)
InChIKeyKEDXKKXQARPAEP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.64
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide

N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide (PubChem CID 4646693) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide
PubChem CID4646693
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide
SMILESO=C(NN=Cc1ccc2c(c1)CCC2)c1ccc(O)cc1
InChIInChI=1S/C17H16N2O2/c20-16-8-6-14(7-9-16)17(21)19-18-11-12-4-5-13-2-1-3-15(13)10-12/h4-11,20H,1-3H2,(H,19,21)
InChIKeyKEDXKKXQARPAEP-UHFFFAOYSA-N
XLogP2.64
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.64
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'}

Analyze N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
CID 6152139
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide
CID 44722545
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide
CID 44725537
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
N-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 91933933
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide
CID 71816318
4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135781840

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide (CID 4646693) is N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide is O=C(NN=Cc1ccc2c(c1)CCC2)c1ccc(O)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide?
The InChIKey is KEDXKKXQARPAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-8-6-14(7-9-16)17(21)19-18-11-12-4-5-13-2-1-3-15(13)10-12/h4-11,20H,1-3H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide?
N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide is sourced from PubChem (CID 4646693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).