2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide

C19H18F4N2O — CID 118024387

IUPAC2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21
InChIInChI=1S/C19H18F4N2O/c1-25(2)18(26)7-11-3-5-13-15(11)9-24-10-16(13)14-6-4-12(8-17(14)20)19(21,22)23/h4,6,8-11H,3,5,7H2,1-2H3
InChIKeyNIUKYUWGZIBBEY-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.41
Rot. Bonds3

About 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide

2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide (PubChem CID 118024387) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide
PubChem CID118024387
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21
InChIInChI=1S/C19H18F4N2O/c1-25(2)18(26)7-11-3-5-13-15(11)9-24-10-16(13)14-6-4-12(8-17(14)20)19(21,22)23/h4,6,8-11H,3,5,7H2,1-2H3
InChIKeyNIUKYUWGZIBBEY-UHFFFAOYSA-N
XLogP4.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[(8S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]-N,N-dimethylacetamide
CID 118024215
N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
CID 118024378
N-(cyclopropylmethyl)-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
CID 118024320
ethyl 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetate
CID 118024424
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-(2-methoxyethyl)acetamide
CID 118024323
N-methyl-2-[[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]acetamide
CID 71811488
4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol
CID 118024643
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine
CID 71811529
1-(2,4-difluorophenyl)sulfonyl-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,7-naphthyridine
CID 166001923
chloromethane;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 159313551
2-[(1S)-5-[3-[[5-fluoro-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-methylamino]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 68518291
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid
CID 118024283

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide (CID 118024387) is 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21.
What is the InChIKey of 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide?
The InChIKey is NIUKYUWGZIBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O/c1-25(2)18(26)7-11-3-5-13-15(11)9-24-10-16(13)14-6-4-12(8-17(14)20)19(21,22)23/h4,6,8-11H,3,5,7H2,1-2H3.
What are the key properties of 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide?
2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide has a molecular weight of 366.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118024387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).