N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide

C20H21F2N3O3 — CID 35228132

IUPACN-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(C(=O)N2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C20H21F2N3O3/c1-28-16-4-2-3-14(11-16)20(27)25-9-7-24(8-10-25)13-19(26)23-18-12-15(21)5-6-17(18)22/h2-6,11-12H,7-10,13H2,1H3,(H,23,26)
InChIKeyAFKGPQJLOXIQEU-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.37
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide

N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 35228132) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID35228132
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC NameN-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(C(=O)N2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C20H21F2N3O3/c1-28-16-4-2-3-14(11-16)20(27)25-9-7-24(8-10-25)13-19(26)23-18-12-15(21)5-6-17(18)22/h2-6,11-12H,7-10,13H2,1H3,(H,23,26)
InChIKeyAFKGPQJLOXIQEU-UHFFFAOYSA-N
XLogP2.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166004891
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35229072
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 55544316
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35228408
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 1126140
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 35229915
2-(4-benzoylpiperidin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 16605881
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide (CID 35228132) is N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide is COc1cccc(C(=O)N2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)c1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is AFKGPQJLOXIQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-28-16-4-2-3-14(11-16)20(27)25-9-7-24(8-10-25)13-19(26)23-18-12-15(21)5-6-17(18)22/h2-6,11-12H,7-10,13H2,1H3,(H,23,26).
What are the key properties of N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 389.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35228132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).