4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide

C20H22Cl2N4O2 — CID 86969614

IUPAC4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H22Cl2N4O2/c1-13(20(28)24-17-4-2-3-16(21)18(17)22)25-9-11-26(12-10-25)15-7-5-14(6-8-15)19(23)27/h2-8,13H,9-12H2,1H3,(H2,23,27)(H,24,28)
InChIKeyXXWQNBQFIWAAIQ-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.24
Rot. Bonds5

About 4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide

4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide (PubChem CID 86969614) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
PubChem CID86969614
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H22Cl2N4O2/c1-13(20(28)24-17-4-2-3-16(21)18(17)22)25-9-11-26(12-10-25)15-7-5-14(6-8-15)19(23)27/h2-8,13H,9-12H2,1H3,(H2,23,27)(H,24,28)
InChIKeyXXWQNBQFIWAAIQ-UHFFFAOYSA-N
XLogP3.24
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657
4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide
CID 86969750
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969612
N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168041
N-(2-chlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630893
N-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111
2-[4-[cyano(phenyl)methyl]piperazin-1-yl]-N-(2,3-dichlorophenyl)propanamide
CID 112799391
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 41038243
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide (CID 86969614) is 4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide is CC(C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
The InChIKey is XXWQNBQFIWAAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c1-13(20(28)24-17-4-2-3-16(21)18(17)22)25-9-11-26(12-10-25)15-7-5-14(6-8-15)19(23)27/h2-8,13H,9-12H2,1H3,(H2,23,27)(H,24,28).
What are the key properties of 4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide has a molecular weight of 421.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).