N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

C18H19F3N2O — CID 141292838

IUPACN-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(NCC1CCN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=C2C1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)4-6-23-5-3-11(10-23)9-22-17(24)14-2-1-13-15-7-12(15)8-16(13)14/h1-2,8,11H,3-7,9-10H2,(H,22,24)
InChIKeyFHKAESGUVCMSPI-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.88
Rot. Bonds5

About N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (PubChem CID 141292838) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
PubChem CID141292838
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(NCC1CCN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=C2C1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)4-6-23-5-3-11(10-23)9-22-17(24)14-2-1-13-15-7-12(15)8-16(13)14/h1-2,8,11H,3-7,9-10H2,(H,22,24)
InChIKeyFHKAESGUVCMSPI-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123815682
N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292998
N-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293246
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
CID 172781905
trans-(1S,2R)-1-fluoro-N-[[3-fluoro-1-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]methyl]-2-methylcyclopropane-1-carboxamide
CID 167817874

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (CID 141292838) is N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is O=C(NCC1CCN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=C2C1.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The InChIKey is FHKAESGUVCMSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)4-6-23-5-3-11(10-23)9-22-17(24)14-2-1-13-15-7-12(15)8-16(13)14/h1-2,8,11H,3-7,9-10H2,(H,22,24).
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is sourced from PubChem (CID 141292838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).