N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide

C18H16Cl3NO2 — CID 2570970

IUPACN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H16Cl3NO2/c19-13-8-15(21)17(9-14(13)20)24-10-18(23)22-16-7-3-5-11-4-1-2-6-12(11)16/h1-2,4,6,8-9,16H,3,5,7,10H2,(H,22,23)/t16-/m1/s1
InChIKeyWFJNTUWPZBNOFM-MRXNPFEDSA-N
MW384.69 g/mol
LogP5.22
Rot. Bonds4

About N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 2570970) has the molecular formula C18H16Cl3NO2 and a molecular weight of 384.69 g/mol. Its IUPAC name is N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID2570970
Molecular FormulaC18H16Cl3NO2
Molecular Weight384.69 g/mol
Exact Mass383.02
IUPAC NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H16Cl3NO2/c19-13-8-15(21)17(9-14(13)20)24-10-18(23)22-16-7-3-5-11-4-1-2-6-12(11)16/h1-2,4,6,8-9,16H,3,5,7,10H2,(H,22,23)/t16-/m1/s1
InChIKeyWFJNTUWPZBNOFM-MRXNPFEDSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7468906
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 25493489
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873726
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555984
2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709138
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2633121
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873766
2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556053
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92681011

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide (CID 2570970) is N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is WFJNTUWPZBNOFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16Cl3NO2/c19-13-8-15(21)17(9-14(13)20)24-10-18(23)22-16-7-3-5-11-4-1-2-6-12(11)16/h1-2,4,6,8-9,16H,3,5,7,10H2,(H,22,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 384.69 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 2570970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).