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

C16H16N2O — CID 174442804

IUPAC4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESNC(=O)c1ccc(C2CCc3cc(N)ccc32)cc1
InChIInChI=1S/C16H16N2O/c17-13-6-8-15-12(9-13)5-7-14(15)10-1-3-11(4-2-10)16(18)19/h1-4,6,8-9,14H,5,7,17H2,(H2,18,19)
InChIKeyZJLIVNAEGSMGFX-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.45
Rot. Bonds2

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

4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 174442804) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID174442804
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESNC(=O)c1ccc(C2CCc3cc(N)ccc32)cc1
InChIInChI=1S/C16H16N2O/c17-13-6-8-15-12(9-13)5-7-14(15)10-1-3-11(4-2-10)16(18)19/h1-4,6,8-9,14H,5,7,17H2,(H2,18,19)
InChIKeyZJLIVNAEGSMGFX-UHFFFAOYSA-N
XLogP2.45
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide (CID 174442804) is 4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide is NC(=O)c1ccc(C2CCc3cc(N)ccc32)cc1.
What is the InChIKey of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is ZJLIVNAEGSMGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-13-6-8-15-12(9-13)5-7-14(15)10-1-3-11(4-2-10)16(18)19/h1-4,6,8-9,14H,5,7,17H2,(H2,18,19).
What are the key properties of 4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide?
4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 252.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 174442804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).