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

C16H16N2O2 — CID 79741651

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c17-12-4-7-14-11(9-12)3-8-15(14)18-16(20)10-1-5-13(19)6-2-10/h1-2,4-7,9,15,19H,3,8,17H2,(H,18,20)
InChIKeyRCRGLTROXGVSOP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.39
Rot. Bonds2

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

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide (PubChem CID 79741651) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
PubChem CID79741651
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c17-12-4-7-14-11(9-12)3-8-15(14)18-16(20)10-1-5-13(19)6-2-10/h1-2,4-7,9,15,19H,3,8,17H2,(H,18,20)
InChIKeyRCRGLTROXGVSOP-UHFFFAOYSA-N
XLogP2.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
CID 79721854
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
CID 103209666
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide
CID 107940112
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-5-methylbenzamide
CID 81316696
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-4-methylbenzamide
CID 79723797
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
CID 79741645
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide (CID 79741651) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide is Nc1ccc2c(c1)CCC2NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide?
The InChIKey is RCRGLTROXGVSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-12-4-7-14-11(9-12)3-8-15(14)18-16(20)10-1-5-13(19)6-2-10/h1-2,4-7,9,15,19H,3,8,17H2,(H,18,20).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide is sourced from PubChem (CID 79741651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).