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

C21H25Cl2N3O — CID 16889710

IUPAC3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide
SMILESCN1CCN(c2ccc(CCCNC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1
InChIInChI=1S/C21H25Cl2N3O/c1-25-11-13-26(14-12-25)18-7-4-16(5-8-18)3-2-10-24-21(27)17-6-9-19(22)20(23)15-17/h4-9,15H,2-3,10-14H2,1H3,(H,24,27)
InChIKeyTUJKVHHSBWHPJU-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.11
Rot. Bonds6

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

3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide (PubChem CID 16889710) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide
PubChem CID16889710
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC Name3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide
SMILESCN1CCN(c2ccc(CCCNC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1
InChIInChI=1S/C21H25Cl2N3O/c1-25-11-13-26(14-12-25)18-7-4-16(5-8-18)3-2-10-24-21(27)17-6-9-19(22)20(23)15-17/h4-9,15H,2-3,10-14H2,1H3,(H,24,27)
InChIKeyTUJKVHHSBWHPJU-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-nitrobenzamide
CID 16889287
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889269
4-chloro-3-nitro-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzamide
CID 16889953
2-chloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-4-nitrobenzamide
CID 16889747
4-bromo-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889266
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
CID 16890049

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide (CID 16889710) is 3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide is CN1CCN(c2ccc(CCCNC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1.
What is the InChIKey of 3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide?
The InChIKey is TUJKVHHSBWHPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O/c1-25-11-13-26(14-12-25)18-7-4-16(5-8-18)3-2-10-24-21(27)17-6-9-19(22)20(23)15-17/h4-9,15H,2-3,10-14H2,1H3,(H,24,27).
What are the key properties of 3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide?
3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide has a molecular weight of 406.36 g/mol, XLogP of 4.11, 6 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-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide is sourced from PubChem (CID 16889710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).