(2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide

C17H23FN2O3 — CID 95906047

IUPAC(2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(OC(C)C)cc1F)N1CCCC1=O
InChIInChI=1S/C17H23FN2O3/c1-4-15(20-9-5-6-16(20)21)17(22)19-14-8-7-12(10-13(14)18)23-11(2)3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyDUJCBLDCSVKZBU-OAHLLOKOSA-N
MW322.38 g/mol
LogP2.95
Rot. Bonds6

About (2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide

(2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 95906047) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is (2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID95906047
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name(2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(OC(C)C)cc1F)N1CCCC1=O
InChIInChI=1S/C17H23FN2O3/c1-4-15(20-9-5-6-16(20)21)17(22)19-14-8-7-12(10-13(14)18)23-11(2)3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyDUJCBLDCSVKZBU-OAHLLOKOSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71867206
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122078377
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113108
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluoro-4-propan-2-yloxyphenyl)urea
CID 60608725
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71921698
(2S)-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 122441072
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
(2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95943755
(2S)-N-[3,5-dichloro-4-(2,2,2-trifluoroethoxy)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97249288
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119308646

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 95906047) is (2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide is CC[C@H](C(=O)Nc1ccc(OC(C)C)cc1F)N1CCCC1=O.
What is the InChIKey of (2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is DUJCBLDCSVKZBU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-4-15(20-9-5-6-16(20)21)17(22)19-14-8-7-12(10-13(14)18)23-11(2)3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
(2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 322.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 95906047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).