N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide

C19H24ClN3O4 — CID 6469434

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(Cc3ccco3)CC2)c(OC)cc1Cl
InChIInChI=1S/C19H24ClN3O4/c1-25-17-11-16(18(26-2)10-15(17)20)21-19(24)13-23-7-5-22(6-8-23)12-14-4-3-9-27-14/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,21,24)
InChIKeyBZZMDWAZDJIESO-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.71
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 6469434) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID6469434
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(Cc3ccco3)CC2)c(OC)cc1Cl
InChIInChI=1S/C19H24ClN3O4/c1-25-17-11-16(18(26-2)10-15(17)20)21-19(24)13-23-7-5-22(6-8-23)12-14-4-3-9-27-14/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,21,24)
InChIKeyBZZMDWAZDJIESO-UHFFFAOYSA-N
XLogP2.71
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22195344
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 24617573
N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
CID 86913214
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 24566664
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 34424370
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 146131833
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690762
2-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31291782
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073914

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide (CID 6469434) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide is COc1cc(NC(=O)CN2CCN(Cc3ccco3)CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is BZZMDWAZDJIESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-25-17-11-16(18(26-2)10-15(17)20)21-19(24)13-23-7-5-22(6-8-23)12-14-4-3-9-27-14/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 393.87 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6469434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).