5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide

C23H33ClFNOS — CID 155718331

IUPAC5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide
SMILESCC.CC.CC(F)CSc1ccc(C(N)=O)cc1.Clc1ccc2c(c1)CCC2
InChIInChI=1S/C10H12FNOS.C9H9Cl.2C2H6/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13;10-9-5-4-7-2-1-3-8(7)6-9;2*1-2/h2-5,7H,6H2,1H3,(H2,12,13);4-6H,1-3H2;2*1-2H3
InChIKeyWJZMSGCWPKZQMK-UHFFFAOYSA-N
MW426.04 g/mol
LogP7.12
Rot. Bonds4

About 5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide

5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide (PubChem CID 155718331) has the molecular formula C23H33ClFNOS and a molecular weight of 426.04 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide
PubChem CID155718331
Molecular FormulaC23H33ClFNOS
Molecular Weight426.04 g/mol
Exact Mass425.20
IUPAC Name5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide
SMILESCC.CC.CC(F)CSc1ccc(C(N)=O)cc1.Clc1ccc2c(c1)CCC2
InChIInChI=1S/C10H12FNOS.C9H9Cl.2C2H6/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13;10-9-5-4-7-2-1-3-8(7)6-9;2*1-2/h2-5,7H,6H2,1H3,(H2,12,13);4-6H,1-3H2;2*1-2H3
InChIKeyWJZMSGCWPKZQMK-UHFFFAOYSA-N
XLogP7.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.04
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoropropylsulfanyl)benzamide
CID 155718332
5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone
CID 155718370
1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene
CID 155718260
4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
CID 8800471
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8800367
1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 68860204
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide
CID 63033798
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412758

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide?
The IUPAC name of 5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide (CID 155718331) is 5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide.
What is the SMILES notation for 5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide?
The canonical SMILES for 5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide is CC.CC.CC(F)CSc1ccc(C(N)=O)cc1.Clc1ccc2c(c1)CCC2.
What is the InChIKey of 5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide?
The InChIKey is WJZMSGCWPKZQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS.C9H9Cl.2C2H6/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13;10-9-5-4-7-2-1-3-8(7)6-9;2*1-2/h2-5,7H,6H2,1H3,(H2,12,13);4-6H,1-3H2;2*1-2H3.
What are the key properties of 5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide?
5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide has a molecular weight of 426.04 g/mol, XLogP of 7.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide is sourced from PubChem (CID 155718331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).