N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide

C17H21FN2O3 — CID 86927916

IUPACN-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide
SMILESCC(Oc1cccc(F)c1)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C17H21FN2O3/c1-11(23-14-5-2-4-12(18)10-14)17(22)20-9-3-6-15(20)16(21)19-13-7-8-13/h2,4-5,10-11,13,15H,3,6-9H2,1H3,(H,19,21)
InChIKeyWCHUGAFDUQEUKF-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.86
Rot. Bonds5

About N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 86927916) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide
PubChem CID86927916
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide
SMILESCC(Oc1cccc(F)c1)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C17H21FN2O3/c1-11(23-14-5-2-4-12(18)10-14)17(22)20-9-3-6-15(20)16(21)19-13-7-8-13/h2,4-5,10-11,13,15H,3,6-9H2,1H3,(H,19,21)
InChIKeyWCHUGAFDUQEUKF-UHFFFAOYSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133
N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide
CID 87005926
(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92920729
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 125135252
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60948630
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide
CID 78853035
1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
1-[2-(3-bromophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 119176168

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide (CID 86927916) is N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide is CC(Oc1cccc(F)c1)C(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is WCHUGAFDUQEUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11(23-14-5-2-4-12(18)10-14)17(22)20-9-3-6-15(20)16(21)19-13-7-8-13/h2,4-5,10-11,13,15H,3,6-9H2,1H3,(H,19,21).
What are the key properties of N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86927916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).