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

C17H15BrFNO2 — CID 77258966

IUPACN-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide
SMILESO=C(NC1c2cc(Br)ccc2CCC1O)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)
InChIKeyUMZAVGJCDCAOIQ-UHFFFAOYSA-N
MW364.21 g/mol
LogP3.37
Rot. Bonds2

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

N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide (PubChem CID 77258966) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide
PubChem CID77258966
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide
SMILESO=C(NC1c2cc(Br)ccc2CCC1O)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)
InChIKeyUMZAVGJCDCAOIQ-UHFFFAOYSA-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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Related Compounds

JUA-UNI-bc099708-4
CID 154724637
2-(4-fluorophenyl)-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 42627854
6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580255
N-[4-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 11532837
N-[1-(4-bromophenyl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 18755934
N-[(1S,2R)-1-(4-bromo-2-methylphenyl)-2-hydroxypropyl]-2,6-difluorobenzamide
CID 59069361
N-[(1R,2S)-1-(4-bromo-2-methylphenyl)-2-hydroxypropyl]-2,6-difluorobenzamide
CID 59069362
N-[(1S,2S)-1-(4-bromo-2-methylphenyl)-2-hydroxypropyl]-2,6-difluorobenzamide
CID 59069386
N-[(1R,2R)-1-(4-bromo-2-methylphenyl)-2-hydroxypropyl]-2,6-difluorobenzamide
CID 59069436
N-[(2S,3R)-4-[[(1S)-7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 60207093
4-bromo-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184479
N-[(1S,2S)-7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-fluorobenzamide
CID 67280870

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide?
The IUPAC name of N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide (CID 77258966) is N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide?
The canonical SMILES for N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide is O=C(NC1c2cc(Br)ccc2CCC1O)c1ccc(F)cc1.
What is the InChIKey of N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide?
The InChIKey is UMZAVGJCDCAOIQ-UHFFFAOYSA-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).
What are the key properties of N-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide?
N-(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-(7-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluorobenzamide is sourced from PubChem (CID 77258966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).