6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide

C17H22ClNO — CID 54463297

IUPAC6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESNC(=O)C1CCc2cc(C3CCCCCC3)c(Cl)cc21
InChIInChI=1S/C17H22ClNO/c18-16-10-14-12(7-8-13(14)17(19)20)9-15(16)11-5-3-1-2-4-6-11/h9-11,13H,1-8H2,(H2,19,20)
InChIKeyXDCOZPJAMICFCH-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.29
Rot. Bonds2

About 6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide

6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 54463297) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID54463297
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESNC(=O)C1CCc2cc(C3CCCCCC3)c(Cl)cc21
InChIInChI=1S/C17H22ClNO/c18-16-10-14-12(7-8-13(14)17(19)20)9-15(16)11-5-3-1-2-4-6-11/h9-11,13H,1-8H2,(H2,19,20)
InChIKeyXDCOZPJAMICFCH-UHFFFAOYSA-N
XLogP4.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide (CID 54463297) is 6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide is NC(=O)C1CCc2cc(C3CCCCCC3)c(Cl)cc21.
What is the InChIKey of 6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is XDCOZPJAMICFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-16-10-14-12(7-8-13(14)17(19)20)9-15(16)11-5-3-1-2-4-6-11/h9-11,13H,1-8H2,(H2,19,20).
What are the key properties of 6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide?
6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 291.82 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cycloheptyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 54463297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).