N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide

C17H15NO2 — CID 86703337

IUPACN-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide
SMILESCC1CC(=O)c2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H15NO2/c1-11-9-16(19)15-10-13(7-8-14(11)15)18-17(20)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,18,20)
InChIKeyBYVRXJPJWIELRQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.63
Rot. Bonds2

About N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide

N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide (PubChem CID 86703337) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide
PubChem CID86703337
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide
SMILESCC1CC(=O)c2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H15NO2/c1-11-9-16(19)15-10-13(7-8-14(11)15)18-17(20)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,18,20)
InChIKeyBYVRXJPJWIELRQ-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-3-methyl-2,3-dihydroinden-1-one;benzoyl chloride;N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide
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(4-benzamidophenyl)carbamic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide?
The IUPAC name of N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide (CID 86703337) is N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide.
What is the SMILES notation for N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide?
The canonical SMILES for N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide is CC1CC(=O)c2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide?
The InChIKey is BYVRXJPJWIELRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-9-16(19)15-10-13(7-8-14(11)15)18-17(20)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,18,20).
What are the key properties of N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide?
N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide has a molecular weight of 265.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide is sourced from PubChem (CID 86703337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).