(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone

C18H17BrFNO — CID 24725260

IUPAC(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CCCC1
InChIInChI=1S/C18H17BrFNO/c19-16-8-7-13(11-17(16)20)18(22)15-6-2-1-5-14(15)12-21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyKPQWNNZFDLFGCK-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.41
Rot. Bonds4

About (4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone

(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 24725260) has the molecular formula C18H17BrFNO and a molecular weight of 362.24 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID24725260
Molecular FormulaC18H17BrFNO
Molecular Weight362.24 g/mol
Exact Mass361.05
IUPAC Name(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CCCC1
InChIInChI=1S/C18H17BrFNO/c19-16-8-7-13(11-17(16)20)18(22)15-6-2-1-5-14(15)12-21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyKPQWNNZFDLFGCK-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
(4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 115813675
(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725476
(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725485
(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725495

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 24725260) is (4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CCCC1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is KPQWNNZFDLFGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO/c19-16-8-7-13(11-17(16)20)18(22)15-6-2-1-5-14(15)12-21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2.
What are the key properties of (4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone?
(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 362.24 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).