N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide

C19H19F2NO4 — CID 39921778

IUPACN-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESO=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2NO4/c20-19(21)26-13-9-7-12(8-10-13)22-18(24)11-25-17-6-2-3-14-15(17)4-1-5-16(14)23/h2-3,6-10,16,19,23H,1,4-5,11H2,(H,22,24)/t16-/m0/s1
InChIKeyWRLBJQBUIWDAOV-INIZCTEOSA-N
MW363.36 g/mol
LogP3.68
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (PubChem CID 39921778) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
PubChem CID39921778
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESO=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2NO4/c20-19(21)26-13-9-7-12(8-10-13)22-18(24)11-25-17-6-2-3-14-15(17)4-1-5-16(14)23/h2-3,6-10,16,19,23H,1,4-5,11H2,(H,22,24)/t16-/m0/s1
InChIKeyWRLBJQBUIWDAOV-INIZCTEOSA-N
XLogP3.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 39921821
N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899587
N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921920
N-(3,4-dimethoxyphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899628
N-(3-chlorophenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921895
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921754
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899592
N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921750
N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899618
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide
CID 42899623
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 4243921

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (CID 39921778) is N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is O=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The InChIKey is WRLBJQBUIWDAOV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19F2NO4/c20-19(21)26-13-9-7-12(8-10-13)22-18(24)11-25-17-6-2-3-14-15(17)4-1-5-16(14)23/h2-3,6-10,16,19,23H,1,4-5,11H2,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide has a molecular weight of 363.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is sourced from PubChem (CID 39921778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).