5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide

C17H18N2O2 — CID 106956274

IUPAC5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide
SMILESNC(=O)c1cc(N)ccc1OCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H18N2O2/c18-14-6-7-16(15(9-14)17(19)20)21-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10,18H2,(H2,19,20)
InChIKeyAGRQDZQJBBFEPG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.44
Rot. Bonds4

About 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide

5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide (PubChem CID 106956274) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide.

Molecular Properties

Compound Name5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide
PubChem CID106956274
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide
SMILESNC(=O)c1cc(N)ccc1OCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H18N2O2/c18-14-6-7-16(15(9-14)17(19)20)21-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10,18H2,(H2,19,20)
InChIKeyAGRQDZQJBBFEPG-UHFFFAOYSA-N
XLogP2.44
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline
CID 103008604
5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956179
2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid
CID 80722668
2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate
CID 81315987
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide
CID 61305967
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869
5-amino-2-[(2-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956029
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
5-amino-2-butoxybenzamide
CID 61305277
5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
5-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379961

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide?
The IUPAC name of 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide (CID 106956274) is 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide.
What is the SMILES notation for 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide?
The canonical SMILES for 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide is NC(=O)c1cc(N)ccc1OCc1ccc2c(c1)CCC2.
What is the InChIKey of 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide?
The InChIKey is AGRQDZQJBBFEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-14-6-7-16(15(9-14)17(19)20)21-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10,18H2,(H2,19,20).
What are the key properties of 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide?
5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide has a molecular weight of 282.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide is sourced from PubChem (CID 106956274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).