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

C21H20F4N2O — CID 118024214

IUPACN-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide
SMILESCN(C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21)C1CC1
InChIInChI=1S/C21H20F4N2O/c1-27(14-4-5-14)20(28)8-12-2-6-15-17(12)10-26-11-18(15)16-7-3-13(9-19(16)22)21(23,24)25/h3,7,9-12,14H,2,4-6,8H2,1H3
InChIKeyNUARPOZLDQSKBV-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.95
Rot. Bonds4

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

N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide (PubChem CID 118024214) has the molecular formula C21H20F4N2O and a molecular weight of 392.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide
PubChem CID118024214
Molecular FormulaC21H20F4N2O
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide
SMILESCN(C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21)C1CC1
InChIInChI=1S/C21H20F4N2O/c1-27(14-4-5-14)20(28)8-12-2-6-15-17(12)10-26-11-18(15)16-7-3-13(9-19(16)22)21(23,24)25/h3,7,9-12,14H,2,4-6,8H2,1H3
InChIKeyNUARPOZLDQSKBV-UHFFFAOYSA-N
XLogP4.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide (CID 118024214) is N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide is CN(C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide?
The InChIKey is NUARPOZLDQSKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O/c1-27(14-4-5-14)20(28)8-12-2-6-15-17(12)10-26-11-18(15)16-7-3-13(9-19(16)22)21(23,24)25/h3,7,9-12,14H,2,4-6,8H2,1H3.
What are the key properties of N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide?
N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide has a molecular weight of 392.40 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N-methylacetamide is sourced from PubChem (CID 118024214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).