2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C21H23FN2O2 — CID 95974141

IUPAC2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)cc1
InChIInChI=1S/C21H23FN2O2/c1-13-6-11-17-18(4-3-5-19(17)22)21(13)24-20(26)12-15-7-9-16(10-8-15)23-14(2)25/h3-5,7-10,13,21H,6,11-12H2,1-2H3,(H,23,25)(H,24,26)/t13-,21+/m1/s1
InChIKeyPKQKSNDIAIYPCY-ASSNKEHSSA-N
MW354.43 g/mol
LogP3.77
Rot. Bonds4

About 2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 95974141) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID95974141
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)cc1
InChIInChI=1S/C21H23FN2O2/c1-13-6-11-17-18(4-3-5-19(17)22)21(13)24-20(26)12-15-7-9-16(10-8-15)23-14(2)25/h3-5,7-10,13,21H,6,11-12H2,1-2H3,(H,23,25)(H,24,26)/t13-,21+/m1/s1
InChIKeyPKQKSNDIAIYPCY-ASSNKEHSSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 95974141) is 2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CC(=O)Nc1ccc(CC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is PKQKSNDIAIYPCY-ASSNKEHSSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-13-6-11-17-18(4-3-5-19(17)22)21(13)24-20(26)12-15-7-9-16(10-8-15)23-14(2)25/h3-5,7-10,13,21H,6,11-12H2,1-2H3,(H,23,25)(H,24,26)/t13-,21+/m1/s1.
What are the key properties of 2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 95974141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).