N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide

C19H21BrClN3O3 — CID 55847694

IUPACN-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3Cl)CC2)c(C)o1
InChIInChI=1S/C19H21BrClN3O3/c1-12-9-15(13(2)27-12)19(26)24-7-5-23(6-8-24)11-18(25)22-17-4-3-14(20)10-16(17)21/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,25)
InChIKeyCYSJBTAZPAEVKL-UHFFFAOYSA-N
MW454.75 g/mol
LogP3.71
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide

N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55847694) has the molecular formula C19H21BrClN3O3 and a molecular weight of 454.75 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID55847694
Molecular FormulaC19H21BrClN3O3
Molecular Weight454.75 g/mol
Exact Mass453.05
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3Cl)CC2)c(C)o1
InChIInChI=1S/C19H21BrClN3O3/c1-12-9-15(13(2)27-12)19(26)24-7-5-23(6-8-24)11-18(25)22-17-4-3-14(20)10-16(17)21/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,25)
InChIKeyCYSJBTAZPAEVKL-UHFFFAOYSA-N
XLogP3.71
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 36894666
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692
2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55848719
N-(4-bromo-2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469671
N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928272
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
CID 138603015
N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086253
N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide
CID 166188233
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60504487

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide (CID 55847694) is N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide is Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3Cl)CC2)c(C)o1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is CYSJBTAZPAEVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O3/c1-12-9-15(13(2)27-12)19(26)24-7-5-23(6-8-24)11-18(25)22-17-4-3-14(20)10-16(17)21/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,25).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 454.75 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55847694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).