(1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone

C20H18F2N2O2 — CID 167990894

IUPAC(1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2Cc3cc(F)c(F)cc3C2)C1
InChIInChI=1S/C20H18F2N2O2/c21-17-8-15-11-24(12-16(15)9-18(17)22)20(26)14-6-7-23(10-14)19(25)13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2
InChIKeyMXWVQDANZZNQKC-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.97
Rot. Bonds2

About (1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone

(1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 167990894) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is (1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone
PubChem CID167990894
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(C(=O)N2Cc3cc(F)c(F)cc3C2)C1
InChIInChI=1S/C20H18F2N2O2/c21-17-8-15-11-24(12-16(15)9-18(17)22)20(26)14-6-7-23(10-14)19(25)13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2
InChIKeyMXWVQDANZZNQKC-UHFFFAOYSA-N
XLogP2.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone
CID 110616130
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
1-benzoyl-N-(4-chloro-2-fluorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 166250406
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
1-(3,4,5-trifluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 55160200
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone (CID 167990894) is (1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone is O=C(c1ccccc1)N1CCC(C(=O)N2Cc3cc(F)c(F)cc3C2)C1.
What is the InChIKey of (1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is MXWVQDANZZNQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c21-17-8-15-11-24(12-16(15)9-18(17)22)20(26)14-6-7-23(10-14)19(25)13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2.
What are the key properties of (1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone?
(1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 356.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpyrrolidin-3-yl)-(5,6-difluoro-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 167990894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).