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

C22H22F4N2O — CID 118024279

IUPACN-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide
SMILESCCN(C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21)C1CC1
InChIInChI=1S/C22H22F4N2O/c1-2-28(15-5-6-15)21(29)9-13-3-7-16-18(13)11-27-12-19(16)17-8-4-14(10-20(17)23)22(24,25)26/h4,8,10-13,15H,2-3,5-7,9H2,1H3
InChIKeyQLVIMHZEOPQWGI-UHFFFAOYSA-N
MW406.42 g/mol
LogP5.34
Rot. Bonds5

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

N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide (PubChem CID 118024279) has the molecular formula C22H22F4N2O and a molecular weight of 406.42 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide
PubChem CID118024279
Molecular FormulaC22H22F4N2O
Molecular Weight406.42 g/mol
Exact Mass406.17
IUPAC NameN-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide
SMILESCCN(C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21)C1CC1
InChIInChI=1S/C22H22F4N2O/c1-2-28(15-5-6-15)21(29)9-13-3-7-16-18(13)11-27-12-19(16)17-8-4-14(10-20(17)23)22(24,25)26/h4,8,10-13,15H,2-3,5-7,9H2,1H3
InChIKeyQLVIMHZEOPQWGI-UHFFFAOYSA-N
XLogP5.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide (CID 118024279) is N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide is CCN(C(=O)CC1CCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide?
The InChIKey is QLVIMHZEOPQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N2O/c1-2-28(15-5-6-15)21(29)9-13-3-7-16-18(13)11-27-12-19(16)17-8-4-14(10-20(17)23)22(24,25)26/h4,8,10-13,15H,2-3,5-7,9H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide?
N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide has a molecular weight of 406.42 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide is sourced from PubChem (CID 118024279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).