(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

C18H17ClFNO — CID 24724364

IUPAC(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCC2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H17ClFNO/c19-15-7-8-16(17(20)11-15)18(22)14-5-3-13(4-6-14)12-21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2
InChIKeyLXSJUYFRKPWMPD-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.31
Rot. Bonds4

About (4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 24724364) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID24724364
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCC2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H17ClFNO/c19-15-7-8-16(17(20)11-15)18(22)14-5-3-13(4-6-14)12-21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2
InChIKeyLXSJUYFRKPWMPD-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(azetidin-1-ylmethyl)phenyl]-(2,4-difluorophenyl)methanone
CID 24724427
4-chloro-2-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8533201
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
(2,4-difluorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724541
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
(2,5-dichlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724256
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724285
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 24724364) is (4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCCC2)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is LXSJUYFRKPWMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-15-7-8-16(17(20)11-15)18(22)14-5-3-13(4-6-14)12-21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2.
What are the key properties of (4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
(4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 317.79 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).