N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide

C21H23F3N2O2 — CID 134110162

IUPACN-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1OCCN1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O2/c22-21(23,24)17-8-6-7-16(15-17)20(27)25-18-9-2-3-10-19(18)28-14-13-26-11-4-1-5-12-26/h2-3,6-10,15H,1,4-5,11-14H2,(H,25,27)
InChIKeyRBVHCQUTUMTVJK-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.82
Rot. Bonds6

About N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide

N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 134110162) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID134110162
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1OCCN1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O2/c22-21(23,24)17-8-6-7-16(15-17)20(27)25-18-9-2-3-10-19(18)28-14-13-26-11-4-1-5-12-26/h2-3,6-10,15H,1,4-5,11-14H2,(H,25,27)
InChIKeyRBVHCQUTUMTVJK-UHFFFAOYSA-N
XLogP4.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 46833683
oxalic acid;1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane
CID 2944187
3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 60560548
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 11670336
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-[2-[2-(azepan-1-yl)ethoxy]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 46951715
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-[2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-[[3-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-yl]amino]pyrimidine-5-carboxamide
CID 143609660
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide
CID 56782304

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide (CID 134110162) is N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccccc1OCCN1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RBVHCQUTUMTVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c22-21(23,24)17-8-6-7-16(15-17)20(27)25-18-9-2-3-10-19(18)28-14-13-26-11-4-1-5-12-26/h2-3,6-10,15H,1,4-5,11-14H2,(H,25,27).
What are the key properties of N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 392.42 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134110162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).