N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

C20H20F3NO2 — CID 59666253

IUPACN-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc2c1C[C@H](O)CC2
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)15-8-4-13(5-9-15)6-11-19(26)24-18-3-1-2-14-7-10-16(25)12-17(14)18/h1-5,8-9,16,25H,6-7,10-12H2,(H,24,26)/t16-/m1/s1
InChIKeyMKEBKWVRDBHYEC-MRXNPFEDSA-N
MW363.38 g/mol
LogP4.13
Rot. Bonds4

About N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 59666253) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID59666253
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc2c1C[C@H](O)CC2
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)15-8-4-13(5-9-15)6-11-19(26)24-18-3-1-2-14-7-10-16(25)12-17(14)18/h1-5,8-9,16,25H,6-7,10-12H2,(H,24,26)/t16-/m1/s1
InChIKeyMKEBKWVRDBHYEC-MRXNPFEDSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 59666253) is N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc2c1C[C@H](O)CC2.
What is the InChIKey of N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MKEBKWVRDBHYEC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)15-8-4-13(5-9-15)6-11-19(26)24-18-3-1-2-14-7-10-16(25)12-17(14)18/h1-5,8-9,16,25H,6-7,10-12H2,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 363.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 59666253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).