N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide

C20H18F4N2O — CID 118024277

IUPACN-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide
SMILESO=C(CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)NC1CC1
InChIInChI=1S/C20H18F4N2O/c21-18-7-11(2-6-17(18)20(22,23)24)15-9-25-10-16-12(1-5-14(15)16)8-19(27)26-13-3-4-13/h2,6-7,9-10,12-13H,1,3-5,8H2,(H,26,27)
InChIKeyKHQQJQPCCZPHLX-UHFFFAOYSA-N
MW378.37 g/mol
LogP4.61
Rot. Bonds4

About N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide

N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide (PubChem CID 118024277) has the molecular formula C20H18F4N2O and a molecular weight of 378.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide
PubChem CID118024277
Molecular FormulaC20H18F4N2O
Molecular Weight378.37 g/mol
Exact Mass378.14
IUPAC NameN-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide
SMILESO=C(CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)NC1CC1
InChIInChI=1S/C20H18F4N2O/c21-18-7-11(2-6-17(18)20(22,23)24)15-9-25-10-16-12(1-5-14(15)16)8-19(27)26-13-3-4-13/h2,6-7,9-10,12-13H,1,3-5,8H2,(H,26,27)
InChIKeyKHQQJQPCCZPHLX-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide (CID 118024277) is N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide is O=C(CC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide?
The InChIKey is KHQQJQPCCZPHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O/c21-18-7-11(2-6-17(18)20(22,23)24)15-9-25-10-16-12(1-5-14(15)16)8-19(27)26-13-3-4-13/h2,6-7,9-10,12-13H,1,3-5,8H2,(H,26,27).
What are the key properties of N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide?
N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide has a molecular weight of 378.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]acetamide is sourced from PubChem (CID 118024277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).