(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C15H14ClFN2O — CID 47028453

IUPAC(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C15H14ClFN2O/c16-10-5-6-12(17)11(9-10)15(20)19-8-2-4-14(19)13-3-1-7-18-13/h1,3,5-7,9,14,18H,2,4,8H2
InChIKeySXAXFEUOQMLQOA-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.78
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 47028453) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID47028453
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C15H14ClFN2O/c16-10-5-6-12(17)11(9-10)15(20)19-8-2-4-14(19)13-3-1-7-18-13/h1,3,5-7,9,14,18H,2,4,8H2
InChIKeySXAXFEUOQMLQOA-UHFFFAOYSA-N
XLogP3.78
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 115745671
(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 113240934
(3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 115930359
(5-bromo-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 65309796
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 110873124
2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 95232987
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CID 56817132
[4-(chloromethyl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 60948438
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 63717325
(5-chloro-2-fluorophenyl)-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 47028453) is (5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cc(Cl)ccc1F)N1CCCC1c1ccc[nH]1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SXAXFEUOQMLQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-10-5-6-12(17)11(9-10)15(20)19-8-2-4-14(19)13-3-1-7-18-13/h1,3,5-7,9,14,18H,2,4,8H2.
What are the key properties of (5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 292.74 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 47028453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).