2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

C17H15Cl2NO2 — CID 25493489

IUPAC2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCc2ccccc21
InChIInChI=1S/C17H15Cl2NO2/c18-12-6-7-14(19)16(9-12)22-10-17(21)20-15-8-5-11-3-1-2-4-13(11)15/h1-4,6-7,9,15H,5,8,10H2,(H,20,21)/t15-/m0/s1
InChIKeyQIPNUDQQHOXSKH-HNNXBMFYSA-N
MW336.22 g/mol
LogP4.18
Rot. Bonds4

About 2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 25493489) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID25493489
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCc2ccccc21
InChIInChI=1S/C17H15Cl2NO2/c18-12-6-7-14(19)16(9-12)22-10-17(21)20-15-8-5-11-3-1-2-4-13(11)15/h1-4,6-7,9,15H,5,8,10H2,(H,20,21)/t15-/m0/s1
InChIKeyQIPNUDQQHOXSKH-HNNXBMFYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2570970
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779317
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873766
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 42885170
[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 95795793
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[2-(4-chloro-2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2472553
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[2-(4-chloro-2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2472555
2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956681
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709138

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 25493489) is 2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is O=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCc2ccccc21.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is QIPNUDQQHOXSKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-12-6-7-14(19)16(9-12)22-10-17(21)20-15-8-5-11-3-1-2-4-13(11)15/h1-4,6-7,9,15H,5,8,10H2,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 336.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 25493489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).