N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide

C22H24F3N3O4 — CID 652241

IUPACN-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CN(Cc1ccccc1C(F)(F)F)C(=O)CNC(=O)c1ccco1)NC1CCCC1
InChIInChI=1S/C22H24F3N3O4/c23-22(24,25)17-9-4-1-6-15(17)13-28(14-19(29)27-16-7-2-3-8-16)20(30)12-26-21(31)18-10-5-11-32-18/h1,4-6,9-11,16H,2-3,7-8,12-14H2,(H,26,31)(H,27,29)
InChIKeyUUGRABRWPYESFV-UHFFFAOYSA-N
MW451.45 g/mol
LogP3.12
Rot. Bonds8

About N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 652241) has the molecular formula C22H24F3N3O4 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID652241
Molecular FormulaC22H24F3N3O4
Molecular Weight451.45 g/mol
Exact Mass451.17
IUPAC NameN-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CN(Cc1ccccc1C(F)(F)F)C(=O)CNC(=O)c1ccco1)NC1CCCC1
InChIInChI=1S/C22H24F3N3O4/c23-22(24,25)17-9-4-1-6-15(17)13-28(14-19(29)27-16-7-2-3-8-16)20(30)12-26-21(31)18-10-5-11-32-18/h1,4-6,9-11,16H,2-3,7-8,12-14H2,(H,26,31)(H,27,29)
InChIKeyUUGRABRWPYESFV-UHFFFAOYSA-N
XLogP3.12
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 652241) is N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(CN(Cc1ccccc1C(F)(F)F)C(=O)CNC(=O)c1ccco1)NC1CCCC1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is UUGRABRWPYESFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O4/c23-22(24,25)17-9-4-1-6-15(17)13-28(14-19(29)27-16-7-2-3-8-16)20(30)12-26-21(31)18-10-5-11-32-18/h1,4-6,9-11,16H,2-3,7-8,12-14H2,(H,26,31)(H,27,29).
What are the key properties of N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-2-oxoethyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 652241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).