(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

C19H20ClFN2O — CID 24725046

IUPAC(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2cccc(C(=O)c3ccc(F)cc3Cl)c2)CC1
InChIInChI=1S/C19H20ClFN2O/c1-22-7-9-23(10-8-22)13-14-3-2-4-15(11-14)19(24)17-6-5-16(21)12-18(17)20/h2-6,11-12H,7-10,13H2,1H3
InChIKeyDKVABXFLELPTGG-UHFFFAOYSA-N
MW346.83 g/mol
LogP3.46
Rot. Bonds4

About (2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 24725046) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID24725046
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2cccc(C(=O)c3ccc(F)cc3Cl)c2)CC1
InChIInChI=1S/C19H20ClFN2O/c1-22-7-9-23(10-8-22)13-14-3-2-4-15(11-14)19(24)17-6-5-16(21)12-18(17)20/h2-6,11-12H,7-10,13H2,1H3
InChIKeyDKVABXFLELPTGG-UHFFFAOYSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724703
(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
CID 116543192
(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724584
(2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
CID 24725111
(2,4-dichlorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
CID 24725107
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724818
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one
CID 143584979
(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724803

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (CID 24725046) is (2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is CN1CCN(Cc2cccc(C(=O)c3ccc(F)cc3Cl)c2)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is DKVABXFLELPTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-22-7-9-23(10-8-22)13-14-3-2-4-15(11-14)19(24)17-6-5-16(21)12-18(17)20/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 346.83 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 24725046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).