(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C13H16ClFN2O — CID 63165270

IUPAC(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H16ClFN2O/c1-16(2)10-5-6-17(8-10)13(18)11-7-9(14)3-4-12(11)15/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyHAIZDYWPUHKFGZ-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.26
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63165270) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID63165270
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H16ClFN2O/c1-16(2)10-5-6-17(8-10)13(18)11-7-9(14)3-4-12(11)15/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyHAIZDYWPUHKFGZ-UHFFFAOYSA-N
XLogP2.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090575
(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 113415072
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43585610
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 55187226
[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-5-iodophenyl)methanone
CID 172646753
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 63165270) is (5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is HAIZDYWPUHKFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-16(2)10-5-6-17(8-10)13(18)11-7-9(14)3-4-12(11)15/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of (5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 270.73 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63165270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).