2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide

C18H18Cl3N3O — CID 2321281

IUPAC2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide
SMILESO=C(NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl3N3O/c19-14-5-6-15(17(21)11-14)18(25)22-24-9-7-23(8-10-24)12-13-3-1-2-4-16(13)20/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyPKWBXWFEGDKGBE-UHFFFAOYSA-N
MW398.72 g/mol
LogP4.11
Rot. Bonds4

About 2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide

2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide (PubChem CID 2321281) has the molecular formula C18H18Cl3N3O and a molecular weight of 398.72 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide
PubChem CID2321281
Molecular FormulaC18H18Cl3N3O
Molecular Weight398.72 g/mol
Exact Mass397.05
IUPAC Name2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide
SMILESO=C(NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl3N3O/c19-14-5-6-15(17(21)11-14)18(25)22-24-9-7-23(8-10-24)12-13-3-1-2-4-16(13)20/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyPKWBXWFEGDKGBE-UHFFFAOYSA-N
XLogP4.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.72
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 24725330
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
2,5-dichloro-N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 3961658
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088754
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
CID 1219274
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 52682709
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
3-[(2-chlorophenyl)methyl]-N-(4-methylpiperazin-1-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027149

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide (CID 2321281) is 2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide is O=C(NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide?
The InChIKey is PKWBXWFEGDKGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N3O/c19-14-5-6-15(17(21)11-14)18(25)22-24-9-7-23(8-10-24)12-13-3-1-2-4-16(13)20/h1-6,11H,7-10,12H2,(H,22,25).
What are the key properties of 2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide?
2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide has a molecular weight of 398.72 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 2321281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).