4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide

C17H18N2O2 — CID 107682006

IUPAC4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CCc3cc(O)ccc32)cc1
InChIInChI=1S/C17H18N2O2/c1-18-17(21)11-2-5-13(6-3-11)19-16-9-4-12-10-14(20)7-8-15(12)16/h2-3,5-8,10,16,19-20H,4,9H2,1H3,(H,18,21)
InChIKeyZGLGYNDFHNKKAL-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.85
Rot. Bonds3

About 4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide

4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide (PubChem CID 107682006) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
PubChem CID107682006
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CCc3cc(O)ccc32)cc1
InChIInChI=1S/C17H18N2O2/c1-18-17(21)11-2-5-13(6-3-11)19-16-9-4-12-10-14(20)7-8-15(12)16/h2-3,5-8,10,16,19-20H,4,9H2,1H3,(H,18,21)
InChIKeyZGLGYNDFHNKKAL-UHFFFAOYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide (CID 107682006) is 4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide is CNC(=O)c1ccc(NC2CCc3cc(O)ccc32)cc1.
What is the InChIKey of 4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
The InChIKey is ZGLGYNDFHNKKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18-17(21)11-2-5-13(6-3-11)19-16-9-4-12-10-14(20)7-8-15(12)16/h2-3,5-8,10,16,19-20H,4,9H2,1H3,(H,18,21).
What are the key properties of 4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 107682006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).