2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide

C21H22FNO3 — CID 58055166

IUPAC2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3c(c2)CC(C(=O)CO)CC3)cc1F
InChIInChI=1S/C21H22FNO3/c1-23(2)21(26)18-8-7-15(11-19(18)22)14-5-3-13-4-6-16(20(25)12-24)10-17(13)9-14/h3,5,7-9,11,16,24H,4,6,10,12H2,1-2H3
InChIKeyDKBUQDPMKFHEJT-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.86
Rot. Bonds4

About 2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide

2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide (PubChem CID 58055166) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide
PubChem CID58055166
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3c(c2)CC(C(=O)CO)CC3)cc1F
InChIInChI=1S/C21H22FNO3/c1-23(2)21(26)18-8-7-15(11-19(18)22)14-5-3-13-4-6-16(20(25)12-24)10-17(13)9-14/h3,5,7-9,11,16,24H,4,6,10,12H2,1-2H3
InChIKeyDKBUQDPMKFHEJT-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Fluorophenyl)-4-(3-hydroxypropyl)benzamide
CID 122623278
(3S*,4S*)-1-(4-fluorobenzoyl)-4-(2-naphthyl)piperidin-3-ol
CID 56700784
6-(3-benzyl-4-hydroxypyrrolidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 171359865
N-[2-(3,4-Difluorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydro-1-naphthamide
CID 22452632
3-cyano-N-[2-(3,4-difluorophenyl)-4-hydroxybutyl]-N-methylnaphthalene-1-carboxamide
CID 22622295
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 57209308
1-[7-[3-Fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone
CID 58055240
3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 58055264
1-[7-[4-Fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone
CID 58055354
2-[(4-Fluorophenyl)methyl]-5-(3-hydroxypropanoyl)isoquinolin-1-one
CID 58270437
4-fluoro-N-[4-[4-(3-hydroxypropyl)-2-(methylaminomethyl)phenyl]cyclohexyl]-N-methylbenzamide
CID 67810784
3-cyano-N-[2-(4-fluoro-2-methylphenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 68976783

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide (CID 58055166) is 2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2ccc3c(c2)CC(C(=O)CO)CC3)cc1F.
What is the InChIKey of 2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide?
The InChIKey is DKBUQDPMKFHEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-23(2)21(26)18-8-7-15(11-19(18)22)14-5-3-13-4-6-16(20(25)12-24)10-17(13)9-14/h3,5,7-9,11,16,24H,4,6,10,12H2,1-2H3.
What are the key properties of 2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide?
2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide has a molecular weight of 355.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 58055166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).