2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide

C20H21ClN2O2 — CID 55674540

IUPAC2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NC(=O)Cc2ccc3c(c2)CCC3)ccc1Cl
InChIInChI=1S/C20H21ClN2O2/c1-23(2)20(25)17-12-16(8-9-18(17)21)22-19(24)11-13-6-7-14-4-3-5-15(14)10-13/h6-10,12H,3-5,11H2,1-2H3,(H,22,24)
InChIKeyOQETYYNOOSHSFS-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.71
Rot. Bonds4

About 2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide

2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 55674540) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID55674540
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NC(=O)Cc2ccc3c(c2)CCC3)ccc1Cl
InChIInChI=1S/C20H21ClN2O2/c1-23(2)20(25)17-12-16(8-9-18(17)21)22-19(24)11-13-6-7-14-4-3-5-15(14)10-13/h6-10,12H,3-5,11H2,1-2H3,(H,22,24)
InChIKeyOQETYYNOOSHSFS-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide
CID 55805274
2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide
CID 55674815
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 3380579
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 55674742
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55358736
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55778666
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide
CID 55946746
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 30837665

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide (CID 55674540) is 2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(NC(=O)Cc2ccc3c(c2)CCC3)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is OQETYYNOOSHSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-23(2)20(25)17-12-16(8-9-18(17)21)22-19(24)11-13-6-7-14-4-3-5-15(14)10-13/h6-10,12H,3-5,11H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide?
2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 356.85 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55674540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).