2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide

C24H28Cl2N4O3 — CID 55789667

IUPAC2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H28Cl2N4O3/c1-3-17-7-4-5-10-20(17)28-21(31)15-29-11-13-30(14-12-29)24(33)16(2)27-23(32)18-8-6-9-19(25)22(18)26/h4-10,16H,3,11-15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyHDEYIULCMKHGBH-UHFFFAOYSA-N
MW491.42 g/mol
LogP3.46
Rot. Bonds7

About 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 55789667) has the molecular formula C24H28Cl2N4O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID55789667
Molecular FormulaC24H28Cl2N4O3
Molecular Weight491.42 g/mol
Exact Mass490.15
IUPAC Name2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H28Cl2N4O3/c1-3-17-7-4-5-10-20(17)28-21(31)15-29-11-13-30(14-12-29)24(33)16(2)27-23(32)18-8-6-9-19(25)22(18)26/h4-10,16H,3,11-15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyHDEYIULCMKHGBH-UHFFFAOYSA-N
XLogP3.46
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-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

4-chloro-N-[(2S)-1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 41083228
2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55791792
2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 55740337
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833508
2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55364439
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
CID 119418007
2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30996473
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851954

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide (CID 55789667) is 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is HDEYIULCMKHGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O3/c1-3-17-7-4-5-10-20(17)28-21(31)15-29-11-13-30(14-12-29)24(33)16(2)27-23(32)18-8-6-9-19(25)22(18)26/h4-10,16H,3,11-15H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 491.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55789667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).