N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H19F3N2O2 — CID 65106691

IUPACN-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(5-6-16-8-11)9(18)17-7-10(19)3-1-2-4-10/h16,19H,1-8H2,(H,17,18)
InChIKeyNUNMTAQJMSWOMP-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.95
Rot. Bonds3

About N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 65106691) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID65106691
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(5-6-16-8-11)9(18)17-7-10(19)3-1-2-4-10/h16,19H,1-8H2,(H,17,18)
InChIKeyNUNMTAQJMSWOMP-UHFFFAOYSA-N
XLogP0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 65106691) is N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCC1(O)CCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is NUNMTAQJMSWOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)11(5-6-16-8-11)9(18)17-7-10(19)3-1-2-4-10/h16,19H,1-8H2,(H,17,18).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 65106691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).