N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide

C15H17FN2O3 — CID 138684907

IUPACN-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCOc1cc([C@H]2NC(=O)C[C@@H]2NC(=O)C2CC2)ccc1F
InChIInChI=1S/C15H17FN2O3/c1-21-12-6-9(4-5-10(12)16)14-11(7-13(19)18-14)17-15(20)8-2-3-8/h4-6,8,11,14H,2-3,7H2,1H3,(H,17,20)(H,18,19)/t11-,14+/m0/s1
InChIKeyKUELKTJFDFSJRO-SMDDNHRTSA-N
MW292.31 g/mol
LogP1.29
Rot. Bonds4

About N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide

N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 138684907) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID138684907
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC NameN-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCOc1cc([C@H]2NC(=O)C[C@@H]2NC(=O)C2CC2)ccc1F
InChIInChI=1S/C15H17FN2O3/c1-21-12-6-9(4-5-10(12)16)14-11(7-13(19)18-14)17-15(20)8-2-3-8/h4-6,8,11,14H,2-3,7H2,1H3,(H,17,20)(H,18,19)/t11-,14+/m0/s1
InChIKeyKUELKTJFDFSJRO-SMDDNHRTSA-N
XLogP1.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide (CID 138684907) is N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide is COc1cc([C@H]2NC(=O)C[C@@H]2NC(=O)C2CC2)ccc1F.
What is the InChIKey of N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is KUELKTJFDFSJRO-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-21-12-6-9(4-5-10(12)16)14-11(7-13(19)18-14)17-15(20)8-2-3-8/h4-6,8,11,14H,2-3,7H2,1H3,(H,17,20)(H,18,19)/t11-,14+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 292.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138684907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).