2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide

C22H25Cl2N3O2 — CID 27168075

IUPAC2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H25Cl2N3O2/c23-18-8-9-19(20(24)12-18)22(29)26-14-21(28)25-13-16-4-6-17(7-5-16)15-27-10-2-1-3-11-27/h4-9,12H,1-3,10-11,13-15H2,(H,25,28)(H,26,29)
InChIKeyDVBMMLOJUNZIJZ-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.03
Rot. Bonds7

About 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide

2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 27168075) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID27168075
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H25Cl2N3O2/c23-18-8-9-19(20(24)12-18)22(29)26-14-21(28)25-13-16-4-6-17(7-5-16)15-27-10-2-1-3-11-27/h4-9,12H,1-3,10-11,13-15H2,(H,25,28)(H,26,29)
InChIKeyDVBMMLOJUNZIJZ-UHFFFAOYSA-N
XLogP4.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide 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

2,4-dichloro-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571030
4-chloro-2-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8533201
2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497
3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46578509
2,4-dichloro-N-[2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methylamino]-2-oxoethyl]benzamide
CID 108759133
2,4-dichloro-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46464704
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 51165988
5-bromo-2-fluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8545995
2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 24595815
1-[(2,4-dichlorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917689
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43917693

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide (CID 27168075) is 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is DVBMMLOJUNZIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c23-18-8-9-19(20(24)12-18)22(29)26-14-21(28)25-13-16-4-6-17(7-5-16)15-27-10-2-1-3-11-27/h4-9,12H,1-3,10-11,13-15H2,(H,25,28)(H,26,29).
What are the key properties of 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 434.37 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 27168075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).