2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

C19H21Cl2N3O — CID 36559242

IUPAC2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H21Cl2N3O/c1-13-11-15(24-9-7-23(2)8-10-24)4-6-18(13)22-19(25)16-12-14(20)3-5-17(16)21/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChIKeyOOJYLEYAJPMSFQ-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.31
Rot. Bonds3

About 2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 36559242) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID36559242
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H21Cl2N3O/c1-13-11-15(24-9-7-23(2)8-10-24)4-6-18(13)22-19(25)16-12-14(20)3-5-17(16)21/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChIKeyOOJYLEYAJPMSFQ-UHFFFAOYSA-N
XLogP4.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
CID 18127981
4-chloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18127990
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 106685905
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
N-(4-chloro-2-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968876
5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788209
4,5-dibromo-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 36558379
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 36559242) is 2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is OOJYLEYAJPMSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-13-11-15(24-9-7-23(2)8-10-24)4-6-18(13)22-19(25)16-12-14(20)3-5-17(16)21/h3-6,11-12H,7-10H2,1-2H3,(H,22,25).
What are the key properties of 2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 378.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 36559242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).