3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide

C22H27Cl2N3O — CID 18425361

IUPAC3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(C)c1ccccc1N1CCN(C)CC1
InChIInChI=1S/C22H27Cl2N3O/c1-15(16(2)25-22(28)17-8-9-19(23)20(24)14-17)18-6-4-5-7-21(18)27-12-10-26(3)11-13-27/h4-9,14-16H,10-13H2,1-3H3,(H,25,28)
InChIKeyFAONBIJKTLNRDN-UHFFFAOYSA-N
MW420.38 g/mol
LogP4.67
Rot. Bonds5

About 3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide

3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide (PubChem CID 18425361) has the molecular formula C22H27Cl2N3O and a molecular weight of 420.38 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide
PubChem CID18425361
Molecular FormulaC22H27Cl2N3O
Molecular Weight420.38 g/mol
Exact Mass419.15
IUPAC Name3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(C)c1ccccc1N1CCN(C)CC1
InChIInChI=1S/C22H27Cl2N3O/c1-15(16(2)25-22(28)17-8-9-19(23)20(24)14-17)18-6-4-5-7-21(18)27-12-10-26(3)11-13-27/h4-9,14-16H,10-13H2,1-3H3,(H,25,28)
InChIKeyFAONBIJKTLNRDN-UHFFFAOYSA-N
XLogP4.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939148
3,4-dichloro-N-[3-methyl-1-[(2Z)-2-[[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 6292757
3,4-dichloro-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 35514698
1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one
CID 22343601
4-(3,4-dichlorophenyl)-2-[hydroxy-[2-(4-methylpiperazin-1-yl)phenyl]methyl]morpholin-3-one
CID 22346562
3-chloro-4-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170659
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451
4-(3,4-dichlorophenyl)-2-[hydroxy-[2-(4-methylpiperazin-1-yl)phenyl]methyl]thiomorpholin-3-one
CID 22346498
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132666739
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
3-amino-3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117413219

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide (CID 18425361) is 3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)c(Cl)c1)C(C)c1ccccc1N1CCN(C)CC1.
What is the InChIKey of 3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide?
The InChIKey is FAONBIJKTLNRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O/c1-15(16(2)25-22(28)17-8-9-19(23)20(24)14-17)18-6-4-5-7-21(18)27-12-10-26(3)11-13-27/h4-9,14-16H,10-13H2,1-3H3,(H,25,28).
What are the key properties of 3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide?
3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide has a molecular weight of 420.38 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide is sourced from PubChem (CID 18425361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).