N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide

C22H23Cl2N3O3 — CID 55886187

IUPACN-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C22H23Cl2N3O3/c1-14-4-3-5-16(12-14)20(28)25-15(2)21(29)26-8-10-27(11-9-26)22(30)18-7-6-17(23)13-19(18)24/h3-7,12-13,15H,8-11H2,1-2H3,(H,25,28)
InChIKeyFODQYJLOUBMZJY-UHFFFAOYSA-N
MW448.35 g/mol
LogP3.40
Rot. Bonds4

About N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 55886187) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID55886187
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC NameN-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C22H23Cl2N3O3/c1-14-4-3-5-16(12-14)20(28)25-15(2)21(29)26-8-10-27(11-9-26)22(30)18-7-6-17(23)13-19(18)24/h3-7,12-13,15H,8-11H2,1-2H3,(H,25,28)
InChIKeyFODQYJLOUBMZJY-UHFFFAOYSA-N
XLogP3.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55943815
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 87040086
N-[1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 42934405
N-[(2R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 26007115
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
4-(2,4-dichlorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811718
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080198
N-[(2R)-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38168403
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide (CID 55886187) is N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1.
What is the InChIKey of N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is FODQYJLOUBMZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-14-4-3-5-16(12-14)20(28)25-15(2)21(29)26-8-10-27(11-9-26)22(30)18-7-6-17(23)13-19(18)24/h3-7,12-13,15H,8-11H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 448.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 55886187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).