[2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

C25H26Cl2F3NO2 — CID 146493846

IUPAC[2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
SMILESCC1=C[C@](C)(C(F)(F)F)CC2=C1C(C)C(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)=C2
InChIInChI=1S/C25H26Cl2F3NO2/c1-14-12-24(3,25(28,29)30)13-17-10-16(15(2)21(14)17)11-19-20(26)5-4-18(22(19)27)23(32)31-6-8-33-9-7-31/h4-5,10,12,15H,6-9,11,13H2,1-3H3/t15?,24-/m0/s1
InChIKeySSHYEQIZMNTVEA-YKHFMZSMSA-N
MW500.39 g/mol
LogP6.80
Rot. Bonds3

About [2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone

[2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 146493846) has the molecular formula C25H26Cl2F3NO2 and a molecular weight of 500.39 g/mol. Its IUPAC name is [2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
PubChem CID146493846
Molecular FormulaC25H26Cl2F3NO2
Molecular Weight500.39 g/mol
Exact Mass499.13
IUPAC Name[2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
SMILESCC1=C[C@](C)(C(F)(F)F)CC2=C1C(C)C(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)=C2
InChIInChI=1S/C25H26Cl2F3NO2/c1-14-12-24(3,25(28,29)30)13-17-10-16(15(2)21(14)17)11-19-20(26)5-4-18(22(19)27)23(32)31-6-8-33-9-7-31/h4-5,10,12,15H,6-9,11,13H2,1-3H3/t15?,24-/m0/s1
InChIKeySSHYEQIZMNTVEA-YKHFMZSMSA-N
XLogP6.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.39
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2,4-dichloro-3-[[1,4,4-trimethyl-6-(trifluoromethyl)-3aH-pyrrolo[2,3-b]pyridin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
CID 162613870
[2,4-dichloro-3-[[7-(1,1-difluoroethyl)-3,9-dimethyl-5,5a-dihydro-4H-1-benzazepin-2-yl]methyl]phenyl]-morpholin-4-ylmethanone
CID 145206710
2,4-dichloro-3-[[(5R)-5,7-dimethyl-5-(trifluoromethyl)-1,4-dihydroindol-2-yl]methyl]benzoic acid
CID 146493844
2-[[2,6-dichloro-3-(morpholine-4-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbaldehyde
CID 146493931
[2,4-dichloro-3-[(5-ethynyl-1-methylindol-2-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 162228980
[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 164892562
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(2-chloro-5-nitrophenyl)-morpholin-4-ylmethanone
CID 736596
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3,3-dimethylazetidin-1-yl)methanone
CID 146493803
1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)-6,7-dihydroindol-2-yl]methyl]benzoyl]azetidine-3-carboxylic acid
CID 162613887
1-[3-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]cyclobutyl]ethanone
CID 160692434
3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one
CID 158667689

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone (CID 146493846) is [2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is CC1=C[C@](C)(C(F)(F)F)CC2=C1C(C)C(Cc1c(Cl)ccc(C(=O)N3CCOCC3)c1Cl)=C2.
What is the InChIKey of [2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is SSHYEQIZMNTVEA-YKHFMZSMSA-N. The full InChI is InChI=1S/C25H26Cl2F3NO2/c1-14-12-24(3,25(28,29)30)13-17-10-16(15(2)21(14)17)11-19-20(26)5-4-18(22(19)27)23(32)31-6-8-33-9-7-31/h4-5,10,12,15H,6-9,11,13H2,1-3H3/t15?,24-/m0/s1.
What are the key properties of [2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone?
[2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 500.39 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-3-[[(5R)-1,5,7-trimethyl-5-(trifluoromethyl)-1,4-dihydroinden-2-yl]methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 146493846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).