2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide

C23H28FNO2 — CID 133191590

IUPAC2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NC(CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28FNO2/c1-3-20(18-14-13-16-9-5-6-10-17(16)15-18)25-23(26)21(4-2)27-22-12-8-7-11-19(22)24/h7-8,11-15,20-21H,3-6,9-10H2,1-2H3,(H,25,26)
InChIKeyKJELVXNZBPFMFX-UHFFFAOYSA-N
MW369.48 g/mol
LogP5.13
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide

2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide (PubChem CID 133191590) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
PubChem CID133191590
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NC(CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28FNO2/c1-3-20(18-14-13-16-9-5-6-10-17(16)15-18)25-23(26)21(4-2)27-22-12-8-7-11-19(22)24/h7-8,11-15,20-21H,3-6,9-10H2,1-2H3,(H,25,26)
InChIKeyKJELVXNZBPFMFX-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132302
1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108866819
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200009
1-(2-methoxyphenyl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975029
2-(2-fluorophenoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9395568
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133189081
2-(3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191614
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide (CID 133191590) is 2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide is CCC(Oc1ccccc1F)C(=O)NC(CC)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?
The InChIKey is KJELVXNZBPFMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-3-20(18-14-13-16-9-5-6-10-17(16)15-18)25-23(26)21(4-2)27-22-12-8-7-11-19(22)24/h7-8,11-15,20-21H,3-6,9-10H2,1-2H3,(H,25,26).
What are the key properties of 2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide?
2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide has a molecular weight of 369.48 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide is sourced from PubChem (CID 133191590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).