2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C18H18FNO2 — CID 42627854

IUPAC2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1c2ccccc2CC[C@@H]1O
InChIInChI=1S/C18H18FNO2/c19-14-8-5-12(6-9-14)11-17(22)20-18-15-4-2-1-3-13(15)7-10-16(18)21/h1-6,8-9,16,18,21H,7,10-11H2,(H,20,22)/t16-,18+/m0/s1
InChIKeyKTCHCLOYTRWNSJ-FUHWJXTLSA-N
MW299.35 g/mol
LogP2.53
Rot. Bonds3

About 2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 42627854) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID42627854
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1c2ccccc2CC[C@@H]1O
InChIInChI=1S/C18H18FNO2/c19-14-8-5-12(6-9-14)11-17(22)20-18-15-4-2-1-3-13(15)7-10-16(18)21/h1-6,8-9,16,18,21H,7,10-11H2,(H,20,22)/t16-,18+/m0/s1
InChIKeyKTCHCLOYTRWNSJ-FUHWJXTLSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 42627854) is 2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(Cc1ccc(F)cc1)N[C@@H]1c2ccccc2CC[C@@H]1O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is KTCHCLOYTRWNSJ-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-14-8-5-12(6-9-14)11-17(22)20-18-15-4-2-1-3-13(15)7-10-16(18)21/h1-6,8-9,16,18,21H,7,10-11H2,(H,20,22)/t16-,18+/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 299.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 42627854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).