(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone

C18H17ClFNO — CID 24724818

IUPAC(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C18H17ClFNO/c19-16-9-15(10-17(20)11-16)18(22)14-5-3-4-13(8-14)12-21-6-1-2-7-21/h3-5,8-11H,1-2,6-7,12H2
InChIKeyZSPWZJCYRYSRIO-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.31
Rot. Bonds4

About (3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone

(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 24724818) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID24724818
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C18H17ClFNO/c19-16-9-15(10-17(20)11-16)18(22)14-5-3-4-13(8-14)12-21-6-1-2-7-21/h3-5,8-11H,1-2,6-7,12H2
InChIKeyZSPWZJCYRYSRIO-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

(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
[3-(pyrrolidin-1-ylmethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 24724815
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724477
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-[[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methyl]benzoic acid
CID 122028664

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 24724818) is (3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone is O=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CCCC2)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is ZSPWZJCYRYSRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-16-9-15(10-17(20)11-16)18(22)14-5-3-4-13(8-14)12-21-6-1-2-7-21/h3-5,8-11H,1-2,6-7,12H2.
What are the key properties of (3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone?
(3-chloro-5-fluorophenyl)-[3-(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 (3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).