(2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide

C16H19FN2O3 — CID 120965586

IUPAC(2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc1C1CC1
InChIInChI=1S/C16H19FN2O3/c1-22-14-5-4-10(6-12(14)9-2-3-9)16(21)19-8-11(17)7-13(19)15(18)20/h4-6,9,11,13H,2-3,7-8H2,1H3,(H2,18,20)/t11-,13+/m1/s1
InChIKeyIQLLSOQVKZFWKL-YPMHNXCESA-N
MW306.34 g/mol
LogP1.61
Rot. Bonds4

About (2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120965586) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is (2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID120965586
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name(2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc1C1CC1
InChIInChI=1S/C16H19FN2O3/c1-22-14-5-4-10(6-12(14)9-2-3-9)16(21)19-8-11(17)7-13(19)15(18)20/h4-6,9,11,13H,2-3,7-8H2,1H3,(H2,18,20)/t11-,13+/m1/s1
InChIKeyIQLLSOQVKZFWKL-YPMHNXCESA-N
XLogP1.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983612
(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 128984241
(2S,4S)-1-(3-bromo-4-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128984131
(2S,4S)-1-(3,4-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30073924
1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide
CID 79673840
1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848
methyl (2S,4S)-1-benzoyl-4-fluoropyrrolidine-2-carboxylate
CID 54485156
(2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
CID 120965396
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
(2S,4S)-1-(3-bromo-4-methoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714587
(2S)-1-(4-cyclopropyl-3-propan-2-yloxybenzoyl)-4,4-difluoropyrrolidine-2-carboxamide
CID 129216413
(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 125139175

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide (CID 120965586) is (2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide is COc1ccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc1C1CC1.
What is the InChIKey of (2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is IQLLSOQVKZFWKL-YPMHNXCESA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-22-14-5-4-10(6-12(14)9-2-3-9)16(21)19-8-11(17)7-13(19)15(18)20/h4-6,9,11,13H,2-3,7-8H2,1H3,(H2,18,20)/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(3-cyclopropyl-4-methoxybenzoyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120965586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).