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

C18H19F3N2O — CID 123815682

IUPACN-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NCC1CCN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=CC12
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/h1-2,7-8,11,15H,3-6,9-10H2,(H,22,24)
InChIKeyCTUOQTWVMIBEOU-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.74
Rot. Bonds5

About 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

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 (PubChem CID 123815682) 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),3,5,7-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),3,5,7-tetraene-7-carboxamide
PubChem CID123815682
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),3,5,7-tetraene-7-carboxamide
SMILESO=C(NCC1CCN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=CC12
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/h1-2,7-8,11,15H,3-6,9-10H2,(H,22,24)
InChIKeyCTUOQTWVMIBEOU-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N-[(2S)-1-fluoro-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123678126
N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123747436
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292838
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
4,5-Difluoro-5-(pyrrolidin-3-ylmethyl)cyclohexa-1,3-diene-1-carboxamide
CID 142793354
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123967319

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),3,5,7-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),3,5,7-tetraene-7-carboxamide (CID 123815682) is 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.
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),3,5,7-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),3,5,7-tetraene-7-carboxamide is O=C(NCC1CCN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of 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?
The InChIKey is CTUOQTWVMIBEOU-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/h1-2,7-8,11,15H,3-6,9-10H2,(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),3,5,7-tetraene-7-carboxamide?
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 has a molecular weight of 336.36 g/mol, XLogP of 2.74, 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),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123815682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).