(3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C15H18ClFN2O — CID 82878824

IUPAC(3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)c(Cl)c1)N1CCCC1C1CCCN1
InChIInChI=1S/C15H18ClFN2O/c16-11-9-10(5-6-12(11)17)15(20)19-8-2-4-14(19)13-3-1-7-18-13/h5-6,9,13-14,18H,1-4,7-8H2
InChIKeyPRBNRZXBONTUAP-UHFFFAOYSA-N
MW296.77 g/mol
LogP2.84
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

(3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 82878824) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID82878824
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name(3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)c(Cl)c1)N1CCCC1C1CCCN1
InChIInChI=1S/C15H18ClFN2O/c16-11-9-10(5-6-12(11)17)15(20)19-8-2-4-14(19)13-3-1-7-18-13/h5-6,9,13-14,18H,1-4,7-8H2
InChIKeyPRBNRZXBONTUAP-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81265009
(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244
(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274583
(2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256766
(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256807
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82879068
(3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 86781661
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273189
(2-bromo-5-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274236
1-(3-chloro-4-fluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 62275091
(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256799
(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 104639225

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 82878824) is (3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(F)c(Cl)c1)N1CCCC1C1CCCN1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is PRBNRZXBONTUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c16-11-9-10(5-6-12(11)17)15(20)19-8-2-4-14(19)13-3-1-7-18-13/h5-6,9,13-14,18H,1-4,7-8H2.
What are the key properties of (3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
(3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 296.77 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 82878824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).