N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide

C21H23ClFN3O3 — CID 30776742

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H23ClFN3O3/c1-14-11-18(19(29-2)12-16(14)22)24-20(27)13-25-7-9-26(10-8-25)21(28)15-5-3-4-6-17(15)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyTXYYLKRWVXJDPU-UHFFFAOYSA-N
MW419.88 g/mol
LogP3.19
Rot. Bonds5

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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 30776742) has the molecular formula C21H23ClFN3O3 and a molecular weight of 419.88 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID30776742
Molecular FormulaC21H23ClFN3O3
Molecular Weight419.88 g/mol
Exact Mass419.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H23ClFN3O3/c1-14-11-18(19(29-2)12-16(14)22)24-20(27)13-25-7-9-26(10-8-25)21(28)15-5-3-4-6-17(15)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyTXYYLKRWVXJDPU-UHFFFAOYSA-N
XLogP3.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 24674491
2-(4-acetylpiperazin-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2563712
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-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942346
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide
CID 24659733
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073914
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22195344
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 24659758
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide (CID 30776742) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is TXYYLKRWVXJDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O3/c1-14-11-18(19(29-2)12-16(14)22)24-20(27)13-25-7-9-26(10-8-25)21(28)15-5-3-4-6-17(15)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 419.88 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30776742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).