N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide

C22H24F3NO2 — CID 166199835

IUPACN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCC1(O)CCCc2ccccc21)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H24F3NO2/c1-15(16-8-10-18(11-9-16)22(23,24)25)13-20(27)26-14-21(28)12-4-6-17-5-2-3-7-19(17)21/h2-3,5,7-11,15,28H,4,6,12-14H2,1H3,(H,26,27)
InChIKeyBDYZDVOLLODNDE-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.54
Rot. Bonds5

About N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide

N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 166199835) has the molecular formula C22H24F3NO2 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID166199835
Molecular FormulaC22H24F3NO2
Molecular Weight391.43 g/mol
Exact Mass391.18
IUPAC NameN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCC1(O)CCCc2ccccc21)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H24F3NO2/c1-15(16-8-10-18(11-9-16)22(23,24)25)13-20(27)26-14-21(28)12-4-6-17-5-2-3-7-19(17)21/h2-3,5,7-11,15,28H,4,6,12-14H2,1H3,(H,26,27)
InChIKeyBDYZDVOLLODNDE-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120887469
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119528728
tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 95177131
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90499051
N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide
CID 124742880
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71782220
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95177177
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111540492
1-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 43809321

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide (CID 166199835) is N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)NCC1(O)CCCc2ccccc21)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is BDYZDVOLLODNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO2/c1-15(16-8-10-18(11-9-16)22(23,24)25)13-20(27)26-14-21(28)12-4-6-17-5-2-3-7-19(17)21/h2-3,5,7-11,15,28H,4,6,12-14H2,1H3,(H,26,27).
What are the key properties of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 391.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 166199835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).