N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide

C21H20Cl2F4N2O2 — CID 22322378

IUPACN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C21H20Cl2F4N2O2/c22-16-5-4-14(12-17(16)23)31-13-6-9-29(10-7-13)11-8-28-20(30)19-15(21(25,26)27)2-1-3-18(19)24/h1-5,12-13H,6-11H2,(H,28,30)
InChIKeyIFWNLNZZWZZBGO-UHFFFAOYSA-N
MW479.30 g/mol
LogP5.42
Rot. Bonds6

About N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide (PubChem CID 22322378) has the molecular formula C21H20Cl2F4N2O2 and a molecular weight of 479.30 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
PubChem CID22322378
Molecular FormulaC21H20Cl2F4N2O2
Molecular Weight479.30 g/mol
Exact Mass478.08
IUPAC NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C21H20Cl2F4N2O2/c22-16-5-4-14(12-17(16)23)31-13-6-9-29(10-7-13)11-8-28-20(30)19-15(21(25,26)27)2-1-3-18(19)24/h1-5,12-13H,6-11H2,(H,28,30)
InChIKeyIFWNLNZZWZZBGO-UHFFFAOYSA-N
XLogP5.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.30
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide
CID 10164630
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-sulfanylidene-1H-pyridin-3-yl)acetamide
CID 10138131
2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 10163831
6-chloro-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 86611245

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide (CID 22322378) is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide is O=C(NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The InChIKey is IFWNLNZZWZZBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2F4N2O2/c22-16-5-4-14(12-17(16)23)31-13-6-9-29(10-7-13)11-8-28-20(30)19-15(21(25,26)27)2-1-3-18(19)24/h1-5,12-13H,6-11H2,(H,28,30).
What are the key properties of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide?
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide has a molecular weight of 479.30 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 22322378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).