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

C13H21F3N2O2 — CID 65106035

IUPACN-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(6-7-17-9-12)10(19)18-8-11(20)4-2-1-3-5-11/h17,20H,1-9H2,(H,18,19)
InChIKeyFGNIURUVCOODMN-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.34
Rot. Bonds3

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

N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 65106035) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID65106035
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(6-7-17-9-12)10(19)18-8-11(20)4-2-1-3-5-11/h17,20H,1-9H2,(H,18,19)
InChIKeyFGNIURUVCOODMN-UHFFFAOYSA-N
XLogP1.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708975
N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709151
N-[(1-hydroxycyclopentyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 64196011
N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64911803
N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65106680
N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65106691
3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 65113661
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65119734
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65120329
N-[(1-hydroxycycloheptyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65122388
4,4,4-trifluoro-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 65711381
4,4,4-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
CID 65711568

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 65106035) is N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCC1(O)CCCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is FGNIURUVCOODMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)12(6-7-17-9-12)10(19)18-8-11(20)4-2-1-3-5-11/h17,20H,1-9H2,(H,18,19).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 65106035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).