(2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone

C18H15F2NO — CID 24725111

IUPAC(2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CC=CC2)c1)c1ccc(F)cc1F
InChIInChI=1S/C18H15F2NO/c19-15-6-7-16(17(20)11-15)18(22)14-5-3-4-13(10-14)12-21-8-1-2-9-21/h1-7,10-11H,8-9,12H2
InChIKeyNHHKKKLKNJVPGJ-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.57
Rot. Bonds4

About (2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone

(2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone (PubChem CID 24725111) has the molecular formula C18H15F2NO and a molecular weight of 299.32 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
PubChem CID24725111
Molecular FormulaC18H15F2NO
Molecular Weight299.32 g/mol
Exact Mass299.11
IUPAC Name(2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CC=CC2)c1)c1ccc(F)cc1F
InChIInChI=1S/C18H15F2NO/c19-15-6-7-16(17(20)11-15)18(22)14-5-3-4-13(10-14)12-21-8-1-2-9-21/h1-7,10-11H,8-9,12H2
InChIKeyNHHKKKLKNJVPGJ-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
CID 24725107
(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724703
(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725046
[4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone
CID 24724427
(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724541
3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(3-fluorophenyl)benzamide
CID 50969575
(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
CID 116543192
(2,4-difluorophenyl)-(3-propoxyphenyl)methanone
CID 62920519
(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724803
(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724818
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone (CID 24725111) is (2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone is O=C(c1cccc(CN2CC=CC2)c1)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone?
The InChIKey is NHHKKKLKNJVPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO/c19-15-6-7-16(17(20)11-15)18(22)14-5-3-4-13(10-14)12-21-8-1-2-9-21/h1-7,10-11H,8-9,12H2.
What are the key properties of (2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone?
(2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone has a molecular weight of 299.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).