N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide

C15H17Cl3F2N2O2 — CID 49074675

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C15H17Cl3F2N2O2/c16-10-5-12(18)13(6-11(10)17)24-8-15(23)21-9-1-3-22(4-2-9)7-14(19)20/h5-6,9,14H,1-4,7-8H2,(H,21,23)
InChIKeyBUNXSBFBGRTEFT-UHFFFAOYSA-N
MW401.67 g/mol
LogP3.87
Rot. Bonds6

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 49074675) has the molecular formula C15H17Cl3F2N2O2 and a molecular weight of 401.67 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID49074675
Molecular FormulaC15H17Cl3F2N2O2
Molecular Weight401.67 g/mol
Exact Mass400.03
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C15H17Cl3F2N2O2/c16-10-5-12(18)13(6-11(10)17)24-8-15(23)21-9-1-3-22(4-2-9)7-14(19)20/h5-6,9,14H,1-4,7-8H2,(H,21,23)
InChIKeyBUNXSBFBGRTEFT-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.67
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
CID 119453282
2-(2,5-dichlorophenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 60550321
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
1-[4-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 119563145
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
4-(2-bromophenoxy)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]butanamide
CID 49072721
N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 62367000
4-(4-chlorophenyl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide
CID 49074790
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910142

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide (CID 49074675) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCN(CC(F)F)CC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is BUNXSBFBGRTEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl3F2N2O2/c16-10-5-12(18)13(6-11(10)17)24-8-15(23)21-9-1-3-22(4-2-9)7-14(19)20/h5-6,9,14H,1-4,7-8H2,(H,21,23).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 401.67 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 49074675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).