(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

C19H20BrFN2O — CID 24725495

IUPAC(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2ccccc2C(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C19H20BrFN2O/c1-22-8-10-23(11-9-22)13-14-4-2-3-5-16(14)19(24)17-7-6-15(20)12-18(17)21/h2-7,12H,8-11,13H2,1H3
InChIKeyBXBKUZOKOJPCNS-UHFFFAOYSA-N
MW391.28 g/mol
LogP3.57
Rot. Bonds4

About (4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 24725495) has the molecular formula C19H20BrFN2O and a molecular weight of 391.28 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID24725495
Molecular FormulaC19H20BrFN2O
Molecular Weight391.28 g/mol
Exact Mass390.07
IUPAC Name(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2ccccc2C(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C19H20BrFN2O/c1-22-8-10-23(11-9-22)13-14-4-2-3-5-16(14)19(24)17-7-6-15(20)12-18(17)21/h2-7,12H,8-11,13H2,1H3
InChIKeyBXBKUZOKOJPCNS-UHFFFAOYSA-N
XLogP3.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725476
4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 60579919
(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725485
sodium 2-[(4-methylpiperazin-1-yl)methyl]benzoate
CID 139934477
(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725260
2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 117408476
4-bromo-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 46840105
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 2879260
[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 24725330
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (CID 24725495) is (4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is CN1CCN(Cc2ccccc2C(=O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is BXBKUZOKOJPCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O/c1-22-8-10-23(11-9-22)13-14-4-2-3-5-16(14)19(24)17-7-6-15(20)12-18(17)21/h2-7,12H,8-11,13H2,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 391.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 24725495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).