(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C16H18F2N2O3 — CID 94348927

IUPAC(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc(OC(F)F)c1)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H18F2N2O3/c17-16(18)23-13-3-1-2-10(6-13)8-19-15(22)11-7-14(21)20(9-11)12-4-5-12/h1-3,6,11-12,16H,4-5,7-9H2,(H,19,22)/t11-/m1/s1
InChIKeyAVESMBUVXLJBMC-LLVKDONJSA-N
MW324.33 g/mol
LogP1.92
Rot. Bonds6

About (3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94348927) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94348927
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc(OC(F)F)c1)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H18F2N2O3/c17-16(18)23-13-3-1-2-10(6-13)8-19-15(22)11-7-14(21)20(9-11)12-4-5-12/h1-3,6,11-12,16H,4-5,7-9H2,(H,19,22)/t11-/m1/s1
InChIKeyAVESMBUVXLJBMC-LLVKDONJSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cyclopropyl-5-oxo-N-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 39576791
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
N-[[3-(difluoromethoxy)phenyl]methyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 49337447
2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246596
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
N-[3-(difluoromethoxy)phenyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567994
(3S)-1-cyclopropyl-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95192686
(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42959728
1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 94348927) is (3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1cccc(OC(F)F)c1)[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AVESMBUVXLJBMC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c17-16(18)23-13-3-1-2-10(6-13)8-19-15(22)11-7-14(21)20(9-11)12-4-5-12/h1-3,6,11-12,16H,4-5,7-9H2,(H,19,22)/t11-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 324.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94348927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).