N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide

C16H20F3N3O2 — CID 75417594

IUPACN-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCC1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCC1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)24-14-4-2-13(3-5-14)22-9-6-12(11-22)10-20-15(23)21-7-1-8-21/h2-5,12H,1,6-11H2,(H,20,23)
InChIKeyCSPPRLVTDKPKOK-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.83
Rot. Bonds4

About N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide

N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide (PubChem CID 75417594) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide
PubChem CID75417594
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC NameN-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide
SMILESO=C(NCC1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCC1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)24-14-4-2-13(3-5-14)22-9-6-12(11-22)10-20-15(23)21-7-1-8-21/h2-5,12H,1,6-11H2,(H,20,23)
InChIKeyCSPPRLVTDKPKOK-UHFFFAOYSA-N
XLogP2.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethyl)-3-[[(3S)-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]urea
CID 129370496
N-[[(3S)-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 97012164
2-(4-chlorophenoxy)-N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]acetamide
CID 166192634
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]urea
CID 126805596
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55833151
4-(azepan-1-ylmethyl)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 52536649
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 60591659
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
1-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 56819732
(2R,6S)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95161107

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide?
The IUPAC name of N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide (CID 75417594) is N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide is O=C(NCC1CCN(c2ccc(OC(F)(F)F)cc2)C1)N1CCC1.
What is the InChIKey of N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide?
The InChIKey is CSPPRLVTDKPKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c17-16(18,19)24-14-4-2-13(3-5-14)22-9-6-12(11-22)10-20-15(23)21-7-1-8-21/h2-5,12H,1,6-11H2,(H,20,23).
What are the key properties of N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide?
N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 75417594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).