N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide

C16H15Cl2NO3 — CID 99830756

IUPACN-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccoc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O
InChIInChI=1S/C16H15Cl2NO3/c1-19(15(21)4-9-2-3-22-8-9)16-12-5-10(17)6-13(18)11(12)7-14(16)20/h2-3,5-6,8,14,16,20H,4,7H2,1H3/t14-,16-/m0/s1
InChIKeyJKWBLJDEBVYWDU-HOCLYGCPSA-N
MW340.21 g/mol
LogP3.25
Rot. Bonds3

About N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide

N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide (PubChem CID 99830756) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide
PubChem CID99830756
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccoc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O
InChIInChI=1S/C16H15Cl2NO3/c1-19(15(21)4-9-2-3-22-8-9)16-12-5-10(17)6-13(18)11(12)7-14(16)20/h2-3,5-6,8,14,16,20H,4,7H2,1H3/t14-,16-/m0/s1
InChIKeyJKWBLJDEBVYWDU-HOCLYGCPSA-N
XLogP3.25
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide?
The IUPAC name of N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide (CID 99830756) is N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide is CN(C(=O)Cc1ccoc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide?
The InChIKey is JKWBLJDEBVYWDU-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-19(15(21)4-9-2-3-22-8-9)16-12-5-10(17)6-13(18)11(12)7-14(16)20/h2-3,5-6,8,14,16,20H,4,7H2,1H3/t14-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide?
N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide has a molecular weight of 340.21 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide is sourced from PubChem (CID 99830756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).