5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

C24H30Cl2N4O3 — CID 42757086

IUPAC5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)C(Cl)Cl)ccc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H30Cl2N4O3/c1-4-28(5-2)24(32)18-16-17(27-23(31)22(25)26)10-11-19(18)29-12-14-30(15-13-29)20-8-6-7-9-21(20)33-3/h6-11,16,22H,4-5,12-15H2,1-3H3,(H,27,31)
InChIKeyGGAZBJLUZNLGNK-UHFFFAOYSA-N
MW493.44 g/mol
LogP4.25
Rot. Bonds8

About 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (PubChem CID 42757086) has the molecular formula C24H30Cl2N4O3 and a molecular weight of 493.44 g/mol. Its IUPAC name is 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
PubChem CID42757086
Molecular FormulaC24H30Cl2N4O3
Molecular Weight493.44 g/mol
Exact Mass492.17
IUPAC Name5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)C(Cl)Cl)ccc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H30Cl2N4O3/c1-4-28(5-2)24(32)18-16-17(27-23(31)22(25)26)10-11-19(18)29-12-14-30(15-13-29)20-8-6-7-9-21(20)33-3/h6-11,16,22H,4-5,12-15H2,1-3H3,(H,27,31)
InChIKeyGGAZBJLUZNLGNK-UHFFFAOYSA-N
XLogP4.25
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,3-dimethylbutanoylamino)-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 1066302
5-(butylcarbamoylamino)-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4224543
5-[(2,6-dimethylphenyl)carbamoylamino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42661861
N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 1066326
5-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42661858
N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1066303
5-[[(2R)-2-chloro-2-phenylacetyl]amino]-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 1066282
5-[[(2R)-2-chloro-2-phenylacetyl]amino]-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 98429798
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid
CID 46362995
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 4687386
N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 3960007
5-[(2-chloro-2-phenylacetyl)amino]-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4612240

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The IUPAC name of 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (CID 42757086) is 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The canonical SMILES for 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is CCN(CC)C(=O)c1cc(NC(=O)C(Cl)Cl)ccc1N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The InChIKey is GGAZBJLUZNLGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O3/c1-4-28(5-2)24(32)18-16-17(27-23(31)22(25)26)10-11-19(18)29-12-14-30(15-13-29)20-8-6-7-9-21(20)33-3/h6-11,16,22H,4-5,12-15H2,1-3H3,(H,27,31).
What are the key properties of 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide has a molecular weight of 493.44 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dichloroacetyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 42757086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).