(2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide

C15H15FN2O3 — CID 23723900

IUPAC(2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1c(C(=O)N2CCC[C@H]2C(N)=O)oc2c(F)cccc12
InChIInChI=1S/C15H15FN2O3/c1-8-9-4-2-5-10(16)13(9)21-12(8)15(20)18-7-3-6-11(18)14(17)19/h2,4-5,11H,3,6-7H2,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyLBQSCPZTJQSOEP-NSHDSACASA-N
MW290.29 g/mol
LogP1.97
Rot. Bonds2

About (2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 23723900) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is (2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID23723900
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name(2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1c(C(=O)N2CCC[C@H]2C(N)=O)oc2c(F)cccc12
InChIInChI=1S/C15H15FN2O3/c1-8-9-4-2-5-10(16)13(9)21-12(8)15(20)18-7-3-6-11(18)14(17)19/h2,4-5,11H,3,6-7H2,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyLBQSCPZTJQSOEP-NSHDSACASA-N
XLogP1.97
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide (CID 23723900) is (2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide is Cc1c(C(=O)N2CCC[C@H]2C(N)=O)oc2c(F)cccc12.
What is the InChIKey of (2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is LBQSCPZTJQSOEP-NSHDSACASA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-8-9-4-2-5-10(16)13(9)21-12(8)15(20)18-7-3-6-11(18)14(17)19/h2,4-5,11H,3,6-7H2,1H3,(H2,17,19)/t11-/m0/s1.
What are the key properties of (2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 23723900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).