4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide

C18H23F3N2O2 — CID 136542748

IUPAC4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)N1CCCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)17(25)8-3-10-23(11-9-17)16(24)22-15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-5,15,25H,3,6-12H2,(H,22,24)
InChIKeyRECFBCRNIDISRH-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.03
Rot. Bonds1

About 4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide

4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide (PubChem CID 136542748) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide
PubChem CID136542748
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)N1CCCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)17(25)8-3-10-23(11-9-17)16(24)22-15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-5,15,25H,3,6-12H2,(H,22,24)
InChIKeyRECFBCRNIDISRH-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-2-yl)morpholine-4-carboxamide
CID 115599477
methyl 4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]-1,4-diazepane-1-carboxylate
CID 95299227
4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334234
4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide
CID 122568385
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-1-carboxamide
CID 154780747
N-(2,3-dihydro-1H-inden-2-yl)-4-methylpiperidine-1-carboxamide
CID 104694688
N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334268
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
4-hydroxy-N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75483152
tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate
CID 55438903
1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107843053
4-(4-fluorophenyl)-N-[6-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 140520091

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide (CID 136542748) is 4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide is O=C(NC1CCc2ccccc2C1)N1CCCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide?
The InChIKey is RECFBCRNIDISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)17(25)8-3-10-23(11-9-17)16(24)22-15-7-6-13-4-1-2-5-14(13)12-15/h1-2,4-5,15,25H,3,6-12H2,(H,22,24).
What are the key properties of 4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide?
4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide is sourced from PubChem (CID 136542748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).