(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide

C20H21FN2O4 — CID 51583799

IUPAC(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCOc1ccccc1N1C[C@H](NC(=O)[C@H](C)Oc2ccccc2F)CC1=O
InChIInChI=1S/C20H21FN2O4/c1-13(27-17-9-5-3-7-15(17)21)20(25)22-14-11-19(24)23(12-14)16-8-4-6-10-18(16)26-2/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)/t13-,14+/m0/s1
InChIKeyZLXWHAQXMDRRLV-UONOGXRCSA-N
MW372.40 g/mol
LogP2.52
Rot. Bonds6

About (2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide

(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 51583799) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
PubChem CID51583799
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCOc1ccccc1N1C[C@H](NC(=O)[C@H](C)Oc2ccccc2F)CC1=O
InChIInChI=1S/C20H21FN2O4/c1-13(27-17-9-5-3-7-15(17)21)20(25)22-14-11-19(24)23(12-14)16-8-4-6-10-18(16)26-2/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)/t13-,14+/m0/s1
InChIKeyZLXWHAQXMDRRLV-UONOGXRCSA-N
XLogP2.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 51584425
[1-(cyclopentylamino)-1-oxopropan-2-yl] 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 24652416
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8946410
1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 166214840
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99937887
(2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide
CID 51587523
2-(cyclopenten-1-yl)-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119063709
N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95217188
(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one
CID 95123830
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 16812474

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide (CID 51583799) is (2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide is COc1ccccc1N1C[C@H](NC(=O)[C@H](C)Oc2ccccc2F)CC1=O.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is ZLXWHAQXMDRRLV-UONOGXRCSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-13(27-17-9-5-3-7-15(17)21)20(25)22-14-11-19(24)23(12-14)16-8-4-6-10-18(16)26-2/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)/t13-,14+/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide?
(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 372.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 51583799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).