2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide

C21H25ClFN3O2 — CID 55657854

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25ClFN3O2/c1-16-14-17(22)2-7-20(16)28-15-21(27)24-8-9-25-10-12-26(13-11-25)19-5-3-18(23)4-6-19/h2-7,14H,8-13,15H2,1H3,(H,24,27)
InChIKeyNKDGODBAQGQFBR-UHFFFAOYSA-N
MW405.90 g/mol
LogP3.10
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 55657854) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
PubChem CID55657854
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25ClFN3O2/c1-16-14-17(22)2-7-20(16)28-15-21(27)24-8-9-25-10-12-26(13-11-25)19-5-3-18(23)4-6-19/h2-7,14H,8-13,15H2,1H3,(H,24,27)
InChIKeyNKDGODBAQGQFBR-UHFFFAOYSA-N
XLogP3.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266468
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34992328
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
2-(3-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 34999063
2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 39052897
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
2-(4-chloro-2-methylphenoxy)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 4203187
2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 46410504
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide (CID 55657854) is 2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is NKDGODBAQGQFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c1-16-14-17(22)2-7-20(16)28-15-21(27)24-8-9-25-10-12-26(13-11-25)19-5-3-18(23)4-6-19/h2-7,14H,8-13,15H2,1H3,(H,24,27).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 405.90 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 55657854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).