1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide

C15H18F2N2O2 — CID 46942761

IUPAC1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCN(C(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H18F2N2O2/c1-3-18-14(21)15(2)4-5-19(9-15)13(20)10-6-11(16)8-12(17)7-10/h6-8H,3-5,9H2,1-2H3,(H,18,21)
InChIKeyAXJFHGYDHINHIW-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.95
Rot. Bonds3

About 1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide

1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide (PubChem CID 46942761) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide
PubChem CID46942761
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCN(C(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H18F2N2O2/c1-3-18-14(21)15(2)4-5-19(9-15)13(20)10-6-11(16)8-12(17)7-10/h6-8H,3-5,9H2,1-2H3,(H,18,21)
InChIKeyAXJFHGYDHINHIW-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide (CID 46942761) is 1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide is CCNC(=O)C1(C)CCN(C(=O)c2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide?
The InChIKey is AXJFHGYDHINHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-3-18-14(21)15(2)4-5-19(9-15)13(20)10-6-11(16)8-12(17)7-10/h6-8H,3-5,9H2,1-2H3,(H,18,21).
What are the key properties of 1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide?
1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46942761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).