N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide

C17H15BrFNO2 — CID 67280870

IUPACN-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide
SMILESO=C(N[C@H]1c2cc(Br)ccc2CC[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C17H15BrFNO2/c18-12-5-1-10-4-8-15(21)16(14(10)9-12)20-17(22)11-2-6-13(19)7-3-11/h1-3,5-7,9,15-16,21H,4,8H2,(H,20,22)/t15-,16-/m0/s1
InChIKeyUMZAVGJCDCAOIQ-HOTGVXAUSA-N
MW364.21 g/mol
LogP3.37
Rot. Bonds2

About N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide

N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide (PubChem CID 67280870) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide
PubChem CID67280870
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide
SMILESO=C(N[C@H]1c2cc(Br)ccc2CC[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C17H15BrFNO2/c18-12-5-1-10-4-8-15(21)16(14(10)9-12)20-17(22)11-2-6-13(19)7-3-11/h1-3,5-7,9,15-16,21H,4,8H2,(H,20,22)/t15-,16-/m0/s1
InChIKeyUMZAVGJCDCAOIQ-HOTGVXAUSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide?
The IUPAC name of N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide (CID 67280870) is N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide is O=C(N[C@H]1c2cc(Br)ccc2CC[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide?
The InChIKey is UMZAVGJCDCAOIQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c18-12-5-1-10-4-8-15(21)16(14(10)9-12)20-17(22)11-2-6-13(19)7-3-11/h1-3,5-7,9,15-16,21H,4,8H2,(H,20,22)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide?
N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide has a molecular weight of 364.21 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide is sourced from PubChem (CID 67280870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).