(2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide

C15H18ClNO2 — CID 96537558

IUPAC(2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide
SMILESC[C@]1(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCCO1
InChIInChI=1S/C15H18ClNO2/c1-15(7-2-8-19-15)14(18)17-13-6-3-10-9-11(16)4-5-12(10)13/h4-5,9,13H,2-3,6-8H2,1H3,(H,17,18)/t13-,15+/m0/s1
InChIKeyPOFRGXGEXYNXJZ-DZGCQCFKSA-N
MW279.77 g/mol
LogP3.01
Rot. Bonds2

About (2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide

(2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide (PubChem CID 96537558) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is (2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide
PubChem CID96537558
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name(2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide
SMILESC[C@]1(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCCO1
InChIInChI=1S/C15H18ClNO2/c1-15(7-2-8-19-15)14(18)17-13-6-3-10-9-11(16)4-5-12(10)13/h4-5,9,13H,2-3,6-8H2,1H3,(H,17,18)/t13-,15+/m0/s1
InChIKeyPOFRGXGEXYNXJZ-DZGCQCFKSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide (CID 96537558) is (2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide is C[C@]1(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCCO1.
What is the InChIKey of (2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide?
The InChIKey is POFRGXGEXYNXJZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-15(7-2-8-19-15)14(18)17-13-6-3-10-9-11(16)4-5-12(10)13/h4-5,9,13H,2-3,6-8H2,1H3,(H,17,18)/t13-,15+/m0/s1.
What are the key properties of (2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide?
(2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 96537558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).