5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide

C19H16Cl2F4N2O2 — CID 145132178

IUPAC5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide
SMILESNC(=O)c1cc(Cl)c(OC2CCN(c3ccc(C(F)(F)F)c(Cl)c3)CC2)cc1F
InChIInChI=1S/C19H16Cl2F4N2O2/c20-14-7-10(1-2-13(14)19(23,24)25)27-5-3-11(4-6-27)29-17-9-16(22)12(18(26)28)8-15(17)21/h1-2,7-9,11H,3-6H2,(H2,26,28)
InChIKeyCEVOUGHOVFWQJL-UHFFFAOYSA-N
MW451.25 g/mol
LogP5.30
Rot. Bonds4

About 5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide

5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide (PubChem CID 145132178) has the molecular formula C19H16Cl2F4N2O2 and a molecular weight of 451.25 g/mol. Its IUPAC name is 5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide
PubChem CID145132178
Molecular FormulaC19H16Cl2F4N2O2
Molecular Weight451.25 g/mol
Exact Mass450.05
IUPAC Name5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide
SMILESNC(=O)c1cc(Cl)c(OC2CCN(c3ccc(C(F)(F)F)c(Cl)c3)CC2)cc1F
InChIInChI=1S/C19H16Cl2F4N2O2/c20-14-7-10(1-2-13(14)19(23,24)25)27-5-3-11(4-6-27)29-17-9-16(22)12(18(26)28)8-15(17)21/h1-2,7-9,11H,3-6H2,(H2,26,28)
InChIKeyCEVOUGHOVFWQJL-UHFFFAOYSA-N
XLogP5.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.25
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44526157
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 44526159
N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 44526564
N-[3-chloro-4-[1-(3-methylbutyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 44526586
3-chloro-N-[4-[3-(dimethylamino)-1-phenylpropoxy]phenyl]-4-methoxybenzamide
CID 90656242
3-chloro-4-(3-chloropropoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 166634665
3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 979234
3-chloro-4-methoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 67239732
3-chloro-4-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 67240356
N-[3-chloro-4-[1-(3-methylbutyl)piperidin-4-yl]oxyphenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44526584
3-chloro-4-ethoxy-N-[5-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]benzamide;hydrochloride
CID 44533923
3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 738328

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide?
The IUPAC name of 5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide (CID 145132178) is 5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide?
The canonical SMILES for 5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide is NC(=O)c1cc(Cl)c(OC2CCN(c3ccc(C(F)(F)F)c(Cl)c3)CC2)cc1F.
What is the InChIKey of 5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide?
The InChIKey is CEVOUGHOVFWQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F4N2O2/c20-14-7-10(1-2-13(14)19(23,24)25)27-5-3-11(4-6-27)29-17-9-16(22)12(18(26)28)8-15(17)21/h1-2,7-9,11H,3-6H2,(H2,26,28).
What are the key properties of 5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide?
5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide has a molecular weight of 451.25 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide is sourced from PubChem (CID 145132178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).