(3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide

C18H22F2N2O3 — CID 51727877

IUPAC(3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1OC(F)F
InChIInChI=1S/C18H22F2N2O3/c1-2-14(13-5-3-4-6-15(13)25-18(19)20)21-17(24)11-9-16(23)22(10-11)12-7-8-12/h3-6,11-12,14,18H,2,7-10H2,1H3,(H,21,24)/t11-,14+/m0/s1
InChIKeyPAIDEYNTKBVDAR-SMDDNHRTSA-N
MW352.38 g/mol
LogP2.87
Rot. Bonds7

About (3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 51727877) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID51727877
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name(3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1OC(F)F
InChIInChI=1S/C18H22F2N2O3/c1-2-14(13-5-3-4-6-15(13)25-18(19)20)21-17(24)11-9-16(23)22(10-11)12-7-8-12/h3-6,11-12,14,18H,2,7-10H2,1H3,(H,21,24)/t11-,14+/m0/s1
InChIKeyPAIDEYNTKBVDAR-SMDDNHRTSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55656137
(3R)-1-cyclopropyl-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 92601337
(4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94169792
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443690
(3S)-1-cyclopropyl-N-[(1S)-1,2-diphenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32580925
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide
CID 51956343
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55656274
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43469521
(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94348927
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43356547
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119136689

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide (CID 51727877) is (3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide is CC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1OC(F)F.
What is the InChIKey of (3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PAIDEYNTKBVDAR-SMDDNHRTSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c1-2-14(13-5-3-4-6-15(13)25-18(19)20)21-17(24)11-9-16(23)22(10-11)12-7-8-12/h3-6,11-12,14,18H,2,7-10H2,1H3,(H,21,24)/t11-,14+/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51727877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).