(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone

C15H12ClF2NO2 — CID 20895629

IUPAC(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)N1CCCC1c1ccco1
InChIInChI=1S/C15H12ClF2NO2/c16-10-8-12(18)11(17)7-9(10)15(20)19-5-1-3-13(19)14-4-2-6-21-14/h2,4,6-8,13H,1,3,5H2
InChIKeyDSULWPLMEMFZSN-UHFFFAOYSA-N
MW311.72 g/mol
LogP4.19
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone

(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 20895629) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID20895629
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Name(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)c(F)cc1Cl)N1CCCC1c1ccco1
InChIInChI=1S/C15H12ClF2NO2/c16-10-8-12(18)11(17)7-9(10)15(20)19-5-1-3-13(19)14-4-2-6-21-14/h2,4,6-8,13H,1,3,5H2
InChIKeyDSULWPLMEMFZSN-UHFFFAOYSA-N
XLogP4.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 51550766
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 50746969
(2-chloro-4,5-difluorophenyl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764729
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 95568951
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 51611887
2-chloro-N-[5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 86960916
(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
CID 102562615
(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone (CID 20895629) is (2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cc(F)c(F)cc1Cl)N1CCCC1c1ccco1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DSULWPLMEMFZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c16-10-8-12(18)11(17)7-9(10)15(20)19-5-1-3-13(19)14-4-2-6-21-14/h2,4,6-8,13H,1,3,5H2.
What are the key properties of (2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 311.72 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 20895629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).