N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide

C21H23Cl2N3O3 — CID 78900057

IUPACN-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)ccc1C
InChIInChI=1S/C21H23Cl2N3O3/c1-14-3-4-15(11-19(14)29-2)21(28)26-9-7-25(8-10-26)13-20(27)24-18-6-5-16(22)12-17(18)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyLEIPBWYQOFHOKI-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.71
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide

N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 78900057) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID78900057
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC NameN-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)ccc1C
InChIInChI=1S/C21H23Cl2N3O3/c1-14-3-4-15(11-19(14)29-2)21(28)26-9-7-25(8-10-26)13-20(27)24-18-6-5-16(22)12-17(18)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyLEIPBWYQOFHOKI-UHFFFAOYSA-N
XLogP3.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
N-(2-chlorophenyl)-2-[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 31333305
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 37445813
N-(3-chloro-4-methoxyphenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60514235
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 78899895
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653668
N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 99184957

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide (CID 78900057) is N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide is COc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)ccc1C.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is LEIPBWYQOFHOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-14-3-4-15(11-19(14)29-2)21(28)26-9-7-25(8-10-26)13-20(27)24-18-6-5-16(22)12-17(18)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 436.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78900057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).