N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide

C15H15F3N2O3 — CID 95627572

IUPACN-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CC1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)23-11-3-1-2-10(8-11)20-7-6-12(14(20)22)19-13(21)9-4-5-9/h1-3,8-9,12H,4-7H2,(H,19,21)/t12-/m0/s1
InChIKeyNWNVEMHKIIGQKO-LBPRGKRZSA-N
MW328.29 g/mol
LogP2.22
Rot. Bonds4

About N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 95627572) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID95627572
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC NameN-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CC1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)23-11-3-1-2-10(8-11)20-7-6-12(14(20)22)19-13(21)9-4-5-9/h1-3,8-9,12H,4-7H2,(H,19,21)/t12-/m0/s1
InChIKeyNWNVEMHKIIGQKO-LBPRGKRZSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 5-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]carbamoyl]oxolane-2-carboxylate
CID 139010568
2-(2-methoxyethylamino)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
CID 119787510
(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120793465
sodium 6-oxo-6-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]hexanoate
CID 139001995
methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate
CID 139000528
2-amino-3-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pentanamide
CID 119787502
1-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethyl]cyclobutane-1-carboxylic acid
CID 167917563
5-amino-2-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]benzamide;hydrochloride
CID 120633308
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959
6-methyl-N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 102557214
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
CID 146088616
1-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)urea
CID 167874097

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 95627572) is N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CC1.
What is the InChIKey of N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is NWNVEMHKIIGQKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c16-15(17,18)23-11-3-1-2-10(8-11)20-7-6-12(14(20)22)19-13(21)9-4-5-9/h1-3,8-9,12H,4-7H2,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 328.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 95627572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).