N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide

C15H23F3N2O2 — CID 26316575

IUPACN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)N[C@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C15H23F3N2O2/c16-15(17,18)8-7-13(21)19-11-9-14(22)20(10-11)12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,19,21)/t11-/m0/s1
InChIKeyQZRDPBARTNVDCR-NSHDSACASA-N
MW320.36 g/mol
LogP2.77
Rot. Bonds4

About N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide

N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide (PubChem CID 26316575) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
PubChem CID26316575
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC NameN-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)N[C@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C15H23F3N2O2/c16-15(17,18)8-7-13(21)19-11-9-14(22)20(10-11)12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,19,21)/t11-/m0/s1
InChIKeyQZRDPBARTNVDCR-NSHDSACASA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide (CID 26316575) is N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)N[C@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The InChIKey is QZRDPBARTNVDCR-NSHDSACASA-N. The full InChI is InChI=1S/C15H23F3N2O2/c16-15(17,18)8-7-13(21)19-11-9-14(22)20(10-11)12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide has a molecular weight of 320.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 26316575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).