N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide

C20H21ClFN3O3 — CID 7328605

IUPACN-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClFN3O3/c21-15-5-7-16(8-6-15)23-19(26)13-28-14-20(27)25-11-9-24(10-12-25)18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26)
InChIKeyBBAUOZPRVBAHSX-UHFFFAOYSA-N
MW405.86 g/mol
LogP2.78
Rot. Bonds6

About N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide

N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide (PubChem CID 7328605) has the molecular formula C20H21ClFN3O3 and a molecular weight of 405.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
PubChem CID7328605
Molecular FormulaC20H21ClFN3O3
Molecular Weight405.86 g/mol
Exact Mass405.13
IUPAC NameN-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
SMILESO=C(COCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClFN3O3/c21-15-5-7-16(8-6-15)23-19(26)13-28-14-20(27)25-11-9-24(10-12-25)18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26)
InChIKeyBBAUOZPRVBAHSX-UHFFFAOYSA-N
XLogP2.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(4-methoxyphenyl)acetamide
CID 7328598
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328573
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 41271013
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide
CID 7328579
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004455
2-(3,5-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004494
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950699
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950323

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide (CID 7328605) is N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide is O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide?
The InChIKey is BBAUOZPRVBAHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O3/c21-15-5-7-16(8-6-15)23-19(26)13-28-14-20(27)25-11-9-24(10-12-25)18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide?
N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide has a molecular weight of 405.86 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide is sourced from PubChem (CID 7328605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).