N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide

C18H17F4N3O2 — CID 97352449

IUPACN-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide
SMILESCN(C(=O)c1cn(C)cc1C(F)(F)F)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H17F4N3O2/c1-23-9-11(12(10-23)18(20,21)22)16(26)24(2)15-7-8-25(17(15)27)14-6-4-3-5-13(14)19/h3-6,9-10,15H,7-8H2,1-2H3/t15-/m0/s1
InChIKeyLDWPPRZLZJFSCN-HNNXBMFYSA-N
MW383.35 g/mol
LogP3.06
Rot. Bonds3

About N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide

N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide (PubChem CID 97352449) has the molecular formula C18H17F4N3O2 and a molecular weight of 383.35 g/mol. Its IUPAC name is N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide
PubChem CID97352449
Molecular FormulaC18H17F4N3O2
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC NameN-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide
SMILESCN(C(=O)c1cn(C)cc1C(F)(F)F)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H17F4N3O2/c1-23-9-11(12(10-23)18(20,21)22)16(26)24(2)15-7-8-25(17(15)27)14-6-4-3-5-13(14)19/h3-6,9-10,15H,7-8H2,1-2H3/t15-/m0/s1
InChIKeyLDWPPRZLZJFSCN-HNNXBMFYSA-N
XLogP3.06
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide (CID 97352449) is N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide is CN(C(=O)c1cn(C)cc1C(F)(F)F)[C@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
The InChIKey is LDWPPRZLZJFSCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17F4N3O2/c1-23-9-11(12(10-23)18(20,21)22)16(26)24(2)15-7-8-25(17(15)27)14-6-4-3-5-13(14)19/h3-6,9-10,15H,7-8H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 97352449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).