2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide

C17H17NO — CID 140712075

IUPAC2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1ccc2c(c1)[C@H](c1ccccc1C(N)=O)CC2
InChIInChI=1S/C17H17NO/c1-11-6-7-12-8-9-14(16(12)10-11)13-4-2-3-5-15(13)17(18)19/h2-7,10,14H,8-9H2,1H3,(H2,18,19)/t14-/m0/s1
InChIKeyCZKOUCWXNRJDNB-AWEZNQCLSA-N
MW251.33 g/mol
LogP3.17
Rot. Bonds2

About 2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide

2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 140712075) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID140712075
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1ccc2c(c1)[C@H](c1ccccc1C(N)=O)CC2
InChIInChI=1S/C17H17NO/c1-11-6-7-12-8-9-14(16(12)10-11)13-4-2-3-5-15(13)17(18)19/h2-7,10,14H,8-9H2,1H3,(H2,18,19)/t14-/m0/s1
InChIKeyCZKOUCWXNRJDNB-AWEZNQCLSA-N
XLogP3.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide (CID 140712075) is 2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide is Cc1ccc2c(c1)[C@H](c1ccccc1C(N)=O)CC2.
What is the InChIKey of 2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is CZKOUCWXNRJDNB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17NO/c1-11-6-7-12-8-9-14(16(12)10-11)13-4-2-3-5-15(13)17(18)19/h2-7,10,14H,8-9H2,1H3,(H2,18,19)/t14-/m0/s1.
What are the key properties of 2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 251.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 140712075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).