2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide

C13H16FNO — CID 82080013

IUPAC2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CCCc2ccc(F)cc21
InChIInChI=1S/C13H16FNO/c1-15-13(16)7-10-4-2-3-9-5-6-11(14)8-12(9)10/h5-6,8,10H,2-4,7H2,1H3,(H,15,16)
InChIKeyDJWWTOUNKRWDLU-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.38
Rot. Bonds2

About 2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide

2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide (PubChem CID 82080013) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide
PubChem CID82080013
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CCCc2ccc(F)cc21
InChIInChI=1S/C13H16FNO/c1-15-13(16)7-10-4-2-3-9-5-6-11(14)8-12(9)10/h5-6,8,10H,2-4,7H2,1H3,(H,15,16)
InChIKeyDJWWTOUNKRWDLU-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide?
The IUPAC name of 2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide (CID 82080013) is 2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide is CNC(=O)CC1CCCc2ccc(F)cc21.
What is the InChIKey of 2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide?
The InChIKey is DJWWTOUNKRWDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-15-13(16)7-10-4-2-3-9-5-6-11(14)8-12(9)10/h5-6,8,10H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide?
2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide has a molecular weight of 221.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide is sourced from PubChem (CID 82080013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).