4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide

C12H13F3N2O2 — CID 62813538

IUPAC4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C12H13F3N2O2/c1-19-7-4-10(16-5-7)12(18)17-6-2-8(13)11(15)9(14)3-6/h2-3,7,10,16H,4-5H2,1H3,(H,17,18)
InChIKeyYKAYZJMOXMKGEX-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.42
Rot. Bonds3

About 4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide

4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 62813538) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
PubChem CID62813538
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C12H13F3N2O2/c1-19-7-4-10(16-5-7)12(18)17-6-2-8(13)11(15)9(14)3-6/h2-3,7,10,16H,4-5H2,1H3,(H,17,18)
InChIKeyYKAYZJMOXMKGEX-UHFFFAOYSA-N
XLogP1.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 83079301
2,4-difluoro-5-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213171
N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214459
N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214741
4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
CID 62902745
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 106911790
N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 103832911
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213291

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide (CID 62813538) is 4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of 4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is YKAYZJMOXMKGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-19-7-4-10(16-5-7)12(18)17-6-2-8(13)11(15)9(14)3-6/h2-3,7,10,16H,4-5H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide?
4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 62813538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).