2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide

C19H21Cl2N3O — CID 1090202

IUPAC2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1
InChIInChI=1S/C19H21Cl2N3O/c1-2-23-9-11-24(12-10-23)18-8-7-14(13-17(18)21)22-19(25)15-5-3-4-6-16(15)20/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyJFBTWUTWFGXZLY-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.39
Rot. Bonds4

About 2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide

2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide (PubChem CID 1090202) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide
PubChem CID1090202
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1
InChIInChI=1S/C19H21Cl2N3O/c1-2-23-9-11-24(12-10-23)18-8-7-14(13-17(18)21)22-19(25)15-5-3-4-6-16(15)20/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyJFBTWUTWFGXZLY-UHFFFAOYSA-N
XLogP4.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide (CID 1090202) is 2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide is CCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is JFBTWUTWFGXZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-2-23-9-11-24(12-10-23)18-8-7-14(13-17(18)21)22-19(25)15-5-3-4-6-16(15)20/h3-8,13H,2,9-12H2,1H3,(H,22,25).
What are the key properties of 2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 378.30 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1090202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).