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

C21H23ClFN3O4 — CID 24674491

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)CN2CCN(C(=O)c3ccccc3F)CC2)cc1Cl
InChIInChI=1S/C21H23ClFN3O4/c1-29-18-12-19(30-2)17(11-15(18)22)24-20(27)13-25-7-9-26(10-8-25)21(28)14-5-3-4-6-16(14)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyDUKXQQAGOSKIGL-UHFFFAOYSA-N
MW435.88 g/mol
LogP2.89
Rot. Bonds6

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 24674491) has the molecular formula C21H23ClFN3O4 and a molecular weight of 435.88 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID24674491
Molecular FormulaC21H23ClFN3O4
Molecular Weight435.88 g/mol
Exact Mass435.14
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)CN2CCN(C(=O)c3ccccc3F)CC2)cc1Cl
InChIInChI=1S/C21H23ClFN3O4/c1-29-18-12-19(30-2)17(11-15(18)22)24-20(27)13-25-7-9-26(10-8-25)21(28)14-5-3-4-6-16(14)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyDUKXQQAGOSKIGL-UHFFFAOYSA-N
XLogP2.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.88
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 30776742
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37405379
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
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24674493
N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride
CID 53352634
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 30704409
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide
CID 24659733
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (CID 24674491) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is COc1cc(OC)c(NC(=O)CN2CCN(C(=O)c3ccccc3F)CC2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is DUKXQQAGOSKIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O4/c1-29-18-12-19(30-2)17(11-15(18)22)24-20(27)13-25-7-9-26(10-8-25)21(28)14-5-3-4-6-16(14)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 435.88 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24674491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).