(2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one

C22H26FNO — CID 143527468

IUPAC(2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one
SMILESC[C@@H](C(=O)C1CCC(N(C)C)C1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H26FNO/c1-15(22(25)18-9-11-19(13-18)24(2)3)17-10-12-20(21(23)14-17)16-7-5-4-6-8-16/h4-8,10,12,14-15,18-19H,9,11,13H2,1-3H3/t15-,18?,19?/m1/s1
InChIKeyMDBMARFKIRUMRB-VNCLNFNDSA-N
MW339.45 g/mol
LogP4.90
Rot. Bonds5

About (2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one

(2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one (PubChem CID 143527468) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is (2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one
PubChem CID143527468
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name(2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one
SMILESC[C@@H](C(=O)C1CCC(N(C)C)C1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H26FNO/c1-15(22(25)18-9-11-19(13-18)24(2)3)17-10-12-20(21(23)14-17)16-7-5-4-6-8-16/h4-8,10,12,14-15,18-19H,9,11,13H2,1-3H3/t15-,18?,19?/m1/s1
InChIKeyMDBMARFKIRUMRB-VNCLNFNDSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one?
The IUPAC name of (2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one (CID 143527468) is (2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one.
What is the SMILES notation for (2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one?
The canonical SMILES for (2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one is C[C@@H](C(=O)C1CCC(N(C)C)C1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one?
The InChIKey is MDBMARFKIRUMRB-VNCLNFNDSA-N. The full InChI is InChI=1S/C22H26FNO/c1-15(22(25)18-9-11-19(13-18)24(2)3)17-10-12-20(21(23)14-17)16-7-5-4-6-8-16/h4-8,10,12,14-15,18-19H,9,11,13H2,1-3H3/t15-,18?,19?/m1/s1.
What are the key properties of (2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one?
(2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one has a molecular weight of 339.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-phenylphenyl)propan-1-one is sourced from PubChem (CID 143527468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).