3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide

C19H20Cl3N3O2 — CID 3966060

IUPAC3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C19H20Cl3N3O2/c1-24-5-7-25(8-6-24)17-4-3-13(11-15(17)21)23-19(26)14-9-12(20)10-16(22)18(14)27-2/h3-4,9-11H,5-8H2,1-2H3,(H,23,26)
InChIKeyVAZBSPGTLKUCMW-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.66
Rot. Bonds4

About 3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide

3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide (PubChem CID 3966060) has the molecular formula C19H20Cl3N3O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide
PubChem CID3966060
Molecular FormulaC19H20Cl3N3O2
Molecular Weight428.75 g/mol
Exact Mass427.06
IUPAC Name3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C19H20Cl3N3O2/c1-24-5-7-25(8-6-24)17-4-3-13(11-15(17)21)23-19(26)14-9-12(20)10-16(22)18(14)27-2/h3-4,9-11H,5-8H2,1-2H3,(H,23,26)
InChIKeyVAZBSPGTLKUCMW-UHFFFAOYSA-N
XLogP4.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 6461050
3,5-dichloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 3333717
[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 141195641
3,5-dichloro-2-methoxy-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 3726013
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
2-chloro-N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodobenzamide
CID 17318345
2-chloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-4-nitrobenzamide
CID 2981763
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
3,5-dichloro-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide
CID 5116507
3,5-dichloro-N-(3-fluorophenyl)-2-methoxybenzamide
CID 17102002
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16557452
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide (CID 3966060) is 3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
The InChIKey is VAZBSPGTLKUCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O2/c1-24-5-7-25(8-6-24)17-4-3-13(11-15(17)21)23-19(26)14-9-12(20)10-16(22)18(14)27-2/h3-4,9-11H,5-8H2,1-2H3,(H,23,26).
What are the key properties of 3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide has a molecular weight of 428.75 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 3966060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).