N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide

C21H20F3NO2 — CID 68719665

IUPACN-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C21H20F3NO2/c1-13-11-14(9-10-21(22,23)24)5-8-17(13)20(27)25-19-4-2-3-15-6-7-16(26)12-18(15)19/h2-5,8-11,16,26H,6-7,12H2,1H3,(H,25,27)
InChIKeyDHUYODWUKHLCNS-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.67
Rot. Bonds3

About N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide

N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide (PubChem CID 68719665) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide.

Molecular Properties

Compound NameN-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
PubChem CID68719665
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC NameN-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C21H20F3NO2/c1-13-11-14(9-10-21(22,23)24)5-8-17(13)20(27)25-19-4-2-3-15-6-7-16(26)12-18(15)19/h2-5,8-11,16,26H,6-7,12H2,1H3,(H,25,27)
InChIKeyDHUYODWUKHLCNS-UHFFFAOYSA-N
XLogP4.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68704570
N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 87544312
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265
2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68704218
2-methyl-N-(3-methylisoquinolin-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 11854407
[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 68749271
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68701762
2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 74319750
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 124636229
1-[[3-(2,6-difluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 59731004
N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59666253

Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The IUPAC name of N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide (CID 68719665) is N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide.
What is the SMILES notation for N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The canonical SMILES for N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide is Cc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cccc2c1CC(O)CC2.
What is the InChIKey of N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The InChIKey is DHUYODWUKHLCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c1-13-11-14(9-10-21(22,23)24)5-8-17(13)20(27)25-19-4-2-3-15-6-7-16(26)12-18(15)19/h2-5,8-11,16,26H,6-7,12H2,1H3,(H,25,27).
What are the key properties of N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide has a molecular weight of 375.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide is sourced from PubChem (CID 68719665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).