1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide

C18H16F2N2O2 — CID 46756263

IUPAC1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H16F2N2O2/c19-13-8-4-9-14(20)16(13)21-17(23)15-10-5-11-22(15)18(24)12-6-2-1-3-7-12/h1-4,6-9,15H,5,10-11H2,(H,21,23)
InChIKeySHNCRXYXAMNCFN-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.21
Rot. Bonds3

About 1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide

1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 46756263) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
PubChem CID46756263
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H16F2N2O2/c19-13-8-4-9-14(20)16(13)21-17(23)15-10-5-11-22(15)18(24)12-6-2-1-3-7-12/h1-4,6-9,15H,5,10-11H2,(H,21,23)
InChIKeySHNCRXYXAMNCFN-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,6-difluorophenyl)-1-(3-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606152
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606058
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299
(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51606131
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 46756268
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide (CID 46756263) is 1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1c(F)cccc1F)C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is SHNCRXYXAMNCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-13-8-4-9-14(20)16(13)21-17(23)15-10-5-11-22(15)18(24)12-6-2-1-3-7-12/h1-4,6-9,15H,5,10-11H2,(H,21,23).
What are the key properties of 1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide?
1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46756263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).