[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone

C19H20Cl2FN3O — CID 129043182

IUPAC[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1F
InChIInChI=1S/C19H20Cl2FN3O/c1-23-17-6-5-13(11-16(17)22)19(26)25-9-7-24(8-10-25)12-14-3-2-4-15(20)18(14)21/h2-6,11,23H,7-10,12H2,1H3
InChIKeyKDWNRBZBPPCFLA-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.13
Rot. Bonds4

About [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone

[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone (PubChem CID 129043182) has the molecular formula C19H20Cl2FN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone
PubChem CID129043182
Molecular FormulaC19H20Cl2FN3O
Molecular Weight396.29 g/mol
Exact Mass395.10
IUPAC Name[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1F
InChIInChI=1S/C19H20Cl2FN3O/c1-23-17-6-5-13(11-16(17)22)19(26)25-9-7-24(8-10-25)12-14-3-2-4-15(20)18(14)21/h2-6,11,23H,7-10,12H2,1H3
InChIKeyKDWNRBZBPPCFLA-UHFFFAOYSA-N
XLogP4.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide
CID 86903584
4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 86903654
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
6-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86903543
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 19329449
(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 86903667
[3-[(2,3-dichlorophenoxy)methyl]phenyl]-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19292987
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 55827633
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 9440777
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone?
The IUPAC name of [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone (CID 129043182) is [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone.
What is the SMILES notation for [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone?
The canonical SMILES for [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1F.
What is the InChIKey of [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone?
The InChIKey is KDWNRBZBPPCFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O/c1-23-17-6-5-13(11-16(17)22)19(26)25-9-7-24(8-10-25)12-14-3-2-4-15(20)18(14)21/h2-6,11,23H,7-10,12H2,1H3.
What are the key properties of [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone?
[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone has a molecular weight of 396.29 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone is sourced from PubChem (CID 129043182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).