(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C16H17FN2O — CID 115745671

IUPAC(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C16H17FN2O/c1-11-10-12(17)6-7-13(11)16(20)19-9-3-5-15(19)14-4-2-8-18-14/h2,4,6-8,10,15,18H,3,5,9H2,1H3
InChIKeyXDIJZXJCBIWAII-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.44
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 115745671) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID115745671
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C16H17FN2O/c1-11-10-12(17)6-7-13(11)16(20)19-9-3-5-15(19)14-4-2-8-18-14/h2,4,6-8,10,15,18H,3,5,9H2,1H3
InChIKeyXDIJZXJCBIWAII-UHFFFAOYSA-N
XLogP3.44
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
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(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
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(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 113240934
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 63717325
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(2S)-3-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95587105
1-(4-fluoro-2-methylbenzoyl)pyrrolidine-2-carbonitrile
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(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
[4-(chloromethyl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 60948438
(3-methyl-1-benzothiophen-2-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 115745671) is (4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is Cc1cc(F)ccc1C(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XDIJZXJCBIWAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-10-12(17)6-7-13(11)16(20)19-9-3-5-15(19)14-4-2-8-18-14/h2,4,6-8,10,15,18H,3,5,9H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 272.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115745671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).