N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide

C16H21F2N3O2 — CID 71856611

IUPACN-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NC2CCN(c3c(F)cccc3F)C2)C1
InChIInChI=1S/C16H21F2N3O2/c1-20-7-8-23-14(10-20)16(22)19-11-5-6-21(9-11)15-12(17)3-2-4-13(15)18/h2-4,11,14H,5-10H2,1H3,(H,19,22)
InChIKeyKVMLRTKFCITRPB-UHFFFAOYSA-N
MW325.36 g/mol
LogP0.99
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide

N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide (PubChem CID 71856611) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
PubChem CID71856611
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC NameN-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NC2CCN(c3c(F)cccc3F)C2)C1
InChIInChI=1S/C16H21F2N3O2/c1-20-7-8-23-14(10-20)16(22)19-11-5-6-21(9-11)15-12(17)3-2-4-13(15)18/h2-4,11,14H,5-10H2,1H3,(H,19,22)
InChIKeyKVMLRTKFCITRPB-UHFFFAOYSA-N
XLogP0.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide (CID 71856611) is N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)NC2CCN(c3c(F)cccc3F)C2)C1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
The InChIKey is KVMLRTKFCITRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-20-7-8-23-14(10-20)16(22)19-11-5-6-21(9-11)15-12(17)3-2-4-13(15)18/h2-4,11,14H,5-10H2,1H3,(H,19,22).
What are the key properties of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 71856611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).