N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide

C13H14ClNO2 — CID 167472509

IUPACN-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)c2c(c1C(C)=O)CCC2
InChIInChI=1S/C13H14ClNO2/c1-7(16)13-10-5-3-4-9(10)11(14)6-12(13)15-8(2)17/h6H,3-5H2,1-2H3,(H,15,17)
InChIKeyKJMCSCVUBIKLIB-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.99
Rot. Bonds2

About N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide

N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 167472509) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID167472509
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC NameN-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)c2c(c1C(C)=O)CCC2
InChIInChI=1S/C13H14ClNO2/c1-7(16)13-10-5-3-4-9(10)11(14)6-12(13)15-8(2)17/h6H,3-5H2,1-2H3,(H,15,17)
InChIKeyKJMCSCVUBIKLIB-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide (CID 167472509) is N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide is CC(=O)Nc1cc(Cl)c2c(c1C(C)=O)CCC2.
What is the InChIKey of N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is KJMCSCVUBIKLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-7(16)13-10-5-3-4-9(10)11(14)6-12(13)15-8(2)17/h6H,3-5H2,1-2H3,(H,15,17).
What are the key properties of N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide?
N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 251.71 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-7-chloro-2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 167472509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).