1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone

C18H17ClFNO — CID 58315669

IUPAC1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone
SMILESO=C(Cc1ccc(C2CCNC2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H17ClFNO/c19-15-5-6-16(17(20)10-15)18(22)9-12-1-3-13(4-2-12)14-7-8-21-11-14/h1-6,10,14,21H,7-9,11H2
InChIKeyUHFZIPOJPYFWPD-UHFFFAOYSA-N
MW317.79 g/mol
LogP3.98
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone

1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone (PubChem CID 58315669) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone
PubChem CID58315669
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone
SMILESO=C(Cc1ccc(C2CCNC2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H17ClFNO/c19-15-5-6-16(17(20)10-15)18(22)9-12-1-3-13(4-2-12)14-7-8-21-11-14/h1-6,10,14,21H,7-9,11H2
InChIKeyUHFZIPOJPYFWPD-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4'-Chloro-3-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890345
4'-Chloro-2-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130264
Cloroperone
CID 41536
[4-(2-chloro-6-fluorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-fluorophenyl)methanone
CID 4327005
4'-Chloro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 9866745
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-tetrahydropyridine
CID 11382826
4-p-Chlorophenyl-3-phenyl-2-pyrrolidinone
CID 54345800
4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one
CID 57392823
4-(4-Chlorobenzoyl)Piperidine
CID 2777115
(4-Chloro-phenyl)-((3S,4R)-1-methyl-4-phenyl-pyrrolidin-3-yl)-methanone
CID 1477310
[4-(4-chlorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl][3-(trifluoromethyl)phenyl]methanone
CID 3816728
2-{1-[2-(4-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1-(4-fluoro-phenyl)-ethanone
CID 10316441

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone (CID 58315669) is 1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone is O=C(Cc1ccc(C2CCNC2)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone?
The InChIKey is UHFZIPOJPYFWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-15-5-6-16(17(20)10-15)18(22)9-12-1-3-13(4-2-12)14-7-8-21-11-14/h1-6,10,14,21H,7-9,11H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone?
1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone has a molecular weight of 317.79 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone is sourced from PubChem (CID 58315669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).