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

C16H16N2O — CID 67610291

IUPAC2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide
SMILESNC(=O)c1cccc(-c2cccc3c2CCC3)c1N
InChIInChI=1S/C16H16N2O/c17-15-13(8-3-9-14(15)16(18)19)12-7-2-5-10-4-1-6-11(10)12/h2-3,5,7-9H,1,4,6,17H2,(H2,18,19)
InChIKeyMPXXNIZAPAMHGW-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.52
Rot. Bonds2

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

2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide (PubChem CID 67610291) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide
PubChem CID67610291
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide
SMILESNC(=O)c1cccc(-c2cccc3c2CCC3)c1N
InChIInChI=1S/C16H16N2O/c17-15-13(8-3-9-14(15)16(18)19)12-7-2-5-10-4-1-6-11(10)12/h2-3,5,7-9H,1,4,6,17H2,(H2,18,19)
InChIKeyMPXXNIZAPAMHGW-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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 2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide?
The IUPAC name of 2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide (CID 67610291) is 2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide.
What is the SMILES notation for 2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide?
The canonical SMILES for 2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide is NC(=O)c1cccc(-c2cccc3c2CCC3)c1N.
What is the InChIKey of 2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide?
The InChIKey is MPXXNIZAPAMHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-15-13(8-3-9-14(15)16(18)19)12-7-2-5-10-4-1-6-11(10)12/h2-3,5,7-9H,1,4,6,17H2,(H2,18,19).
What are the key properties of 2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide?
2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide has a molecular weight of 252.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide is sourced from PubChem (CID 67610291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).