N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C21H25Cl2N3O — CID 112838213

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C21H25Cl2N3O/c1-25-10-12-26(13-11-25)15-16-2-4-18(5-3-16)21(27)24-9-8-17-6-7-19(22)14-20(17)23/h2-7,14H,8-13,15H2,1H3,(H,24,27)
InChIKeyBZSFDPPHZSROEA-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 112838213) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID112838213
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C21H25Cl2N3O/c1-25-10-12-26(13-11-25)15-16-2-4-18(5-3-16)21(27)24-9-8-17-6-7-19(22)14-20(17)23/h2-7,14H,8-13,15H2,1H3,(H,24,27)
InChIKeyBZSFDPPHZSROEA-UHFFFAOYSA-N
XLogP3.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119504910
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924
3-chloro-N-[(5-chloro-2-ethylsulfanylphenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 134548740
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 146242192

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 112838213) is N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is BZSFDPPHZSROEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O/c1-25-10-12-26(13-11-25)15-16-2-4-18(5-3-16)21(27)24-9-8-17-6-7-19(22)14-20(17)23/h2-7,14H,8-13,15H2,1H3,(H,24,27).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 406.36 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 112838213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).