4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride

C24H28Cl4N4O4 — CID 22322261

IUPAC4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride
SMILESCN(C)C(=O)COc1cc(Cl)ccc1C(=O)NCCN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C24H27Cl3N4O4.ClH/c1-29(2)22(32)15-35-21-14-17(25)4-5-18(21)23(33)28-7-8-30-9-11-31(12-10-30)24(34)16-3-6-19(26)20(27)13-16;/h3-6,13-14H,7-12,15H2,1-2H3,(H,28,33);1H
InChIKeyBOTPIRDQKFMAJZ-UHFFFAOYSA-N
MW578.32 g/mol
LogP3.72
Rot. Bonds8

About 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride

4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride (PubChem CID 22322261) has the molecular formula C24H28Cl4N4O4 and a molecular weight of 578.32 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride
PubChem CID22322261
Molecular FormulaC24H28Cl4N4O4
Molecular Weight578.32 g/mol
Exact Mass576.09
IUPAC Name4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride
SMILESCN(C)C(=O)COc1cc(Cl)ccc1C(=O)NCCN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C24H27Cl3N4O4.ClH/c1-29(2)22(32)15-35-21-14-17(25)4-5-18(21)23(33)28-7-8-30-9-11-31(12-10-30)24(34)16-3-6-19(26)20(27)13-16;/h3-6,13-14H,7-12,15H2,1-2H3,(H,28,33);1H
InChIKeyBOTPIRDQKFMAJZ-UHFFFAOYSA-N
XLogP3.72
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride 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

4-chloro-N-[2-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 18536244
4-chloro-2-[2-(dimethylamino)-2-oxoethoxy]-N-[2-[4-[(2,4,5-trifluorophenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 18536218
N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-4-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 18536221
methyl 2-[[2-[5-chloro-2-[2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]ethylcarbamoyl]phenoxy]acetyl]amino]acetate
CID 18536224
N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 75462777
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41135956
4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 110007287
2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide
CID 42697337
[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 112814782
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride (CID 22322261) is 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride is CN(C)C(=O)COc1cc(Cl)ccc1C(=O)NCCN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.Cl.
What is the InChIKey of 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride?
The InChIKey is BOTPIRDQKFMAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl3N4O4.ClH/c1-29(2)22(32)15-35-21-14-17(25)4-5-18(21)23(33)28-7-8-30-9-11-31(12-10-30)24(34)16-3-6-19(26)20(27)13-16;/h3-6,13-14H,7-12,15H2,1-2H3,(H,28,33);1H.
What are the key properties of 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride?
4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride has a molecular weight of 578.32 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide;hydrochloride is sourced from PubChem (CID 22322261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).