N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide

C21H25F2N3O3 — CID 3908014

IUPACN-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C21H25F2N3O3/c1-2-28-19-6-4-3-5-18(19)26-13-11-25(12-14-26)15-20(27)24-16-7-9-17(10-8-16)29-21(22)23/h3-10,21H,2,11-15H2,1H3,(H,24,27)
InChIKeyVZFIUCMPMWTBRF-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.45
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 3908014) has the molecular formula C21H25F2N3O3 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
PubChem CID3908014
Molecular FormulaC21H25F2N3O3
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C21H25F2N3O3/c1-2-28-19-6-4-3-5-18(19)26-13-11-25(12-14-26)15-20(27)24-16-7-9-17(10-8-16)29-21(22)23/h3-10,21H,2,11-15H2,1H3,(H,24,27)
InChIKeyVZFIUCMPMWTBRF-UHFFFAOYSA-N
XLogP3.45
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide (CID 3908014) is N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide is CCOc1ccccc1N1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is VZFIUCMPMWTBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3/c1-2-28-19-6-4-3-5-18(19)26-13-11-25(12-14-26)15-20(27)24-16-7-9-17(10-8-16)29-21(22)23/h3-10,21H,2,11-15H2,1H3,(H,24,27).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 405.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3908014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).