2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide

C20H23Cl2N3O — CID 112502708

IUPAC2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-14(2)24-9-11-25(12-10-24)17-6-4-16(5-7-17)23-20(26)18-8-3-15(21)13-19(18)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyGUCMIYHHRPBQBP-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.78
Rot. Bonds4

About 2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide

2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide (PubChem CID 112502708) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
PubChem CID112502708
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-14(2)24-9-11-25(12-10-24)17-6-4-16(5-7-17)23-20(26)18-8-3-15(21)13-19(18)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyGUCMIYHHRPBQBP-UHFFFAOYSA-N
XLogP4.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.78
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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Related Compounds

2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502704
2,4-dichloro-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]benzamide
CID 17050371
2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 10116194
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2,5-dichlorobenzamide
CID 3619505
2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1396003
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 51945516

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide (CID 112502708) is 2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide is CC(C)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of 2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is GUCMIYHHRPBQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-14(2)24-9-11-25(12-10-24)17-6-4-16(5-7-17)23-20(26)18-8-3-15(21)13-19(18)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 392.33 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 112502708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).