4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol

C17H15Cl2F2NO — CID 112841448

IUPAC4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCN(Cc1ccc(F)c(F)c1)C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C17H15Cl2F2NO/c1-22(8-9-2-3-14(20)15(21)4-9)17-12-5-10(18)6-13(19)11(12)7-16(17)23/h2-6,16-17,23H,7-8H2,1H3
InChIKeyKBNKSOVJHKKOHL-UHFFFAOYSA-N
MW358.22 g/mol
LogP4.36
Rot. Bonds3

About 4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol

4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 112841448) has the molecular formula C17H15Cl2F2NO and a molecular weight of 358.22 g/mol. Its IUPAC name is 4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID112841448
Molecular FormulaC17H15Cl2F2NO
Molecular Weight358.22 g/mol
Exact Mass357.05
IUPAC Name4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCN(Cc1ccc(F)c(F)c1)C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C17H15Cl2F2NO/c1-22(8-9-2-3-14(20)15(21)4-9)17-12-5-10(18)6-13(19)11(12)7-16(17)23/h2-6,16-17,23H,7-8H2,1H3
InChIKeyKBNKSOVJHKKOHL-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 112841472
(1S,2R)-4,6-dichloro-1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 124856742
N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 112841439
4-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]butanenitrile
CID 124802998
(1S,2R)-4,6-dichloro-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 124850604
(1R,2R)-4,6-dichloro-1-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 98871583
3-[[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-2H-isoquinolin-1-one
CID 99699512
N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 112841445
(1S,2R)-4,6-dichloro-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
CID 98871586
2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 112841480
2-[[(1R,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-prop-2-ynylacetamide
CID 124732456
1-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,3-difluorophenyl)-1-methylurea
CID 99779132

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol (CID 112841448) is 4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol is CN(Cc1ccc(F)c(F)c1)C1c2cc(Cl)cc(Cl)c2CC1O.
What is the InChIKey of 4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is KBNKSOVJHKKOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F2NO/c1-22(8-9-2-3-14(20)15(21)4-9)17-12-5-10(18)6-13(19)11(12)7-16(17)23/h2-6,16-17,23H,7-8H2,1H3.
What are the key properties of 4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol?
4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 358.22 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(3,4-difluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 112841448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).