benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide

C23H22F3N3O2 — CID 156839339

IUPACbenzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccc(C(F)(F)F)nc2)c1)C1CCNC1.c1ccccc1
InChIInChI=1S/C17H16F3N3O2.C6H6/c18-17(19,20)15-5-4-14(10-22-15)25-13-3-1-2-12(8-13)23-16(24)11-6-7-21-9-11;1-2-4-6-5-3-1/h1-5,8,10-11,21H,6-7,9H2,(H,23,24);1-6H
InChIKeyZHMNJVGDZYCYKR-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.13
Rot. Bonds4

About benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide

benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide (PubChem CID 156839339) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Namebenzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide
PubChem CID156839339
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Namebenzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccc(C(F)(F)F)nc2)c1)C1CCNC1.c1ccccc1
InChIInChI=1S/C17H16F3N3O2.C6H6/c18-17(19,20)15-5-4-14(10-22-15)25-13-3-1-2-12(8-13)23-16(24)11-6-7-21-9-11;1-2-4-6-5-3-1/h1-5,8,10-11,21H,6-7,9H2,(H,23,24);1-6H
InChIKeyZHMNJVGDZYCYKR-UHFFFAOYSA-N
XLogP5.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide
CID 166790595
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
CID 124687466
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
N-[4-(3-fluorophenoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119299176
N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
CID 119785210

Frequently Asked Questions

What is the IUPAC name of benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide (CID 156839339) is benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(Oc2ccc(C(F)(F)F)nc2)c1)C1CCNC1.c1ccccc1.
What is the InChIKey of benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ZHMNJVGDZYCYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2.C6H6/c18-17(19,20)15-5-4-14(10-22-15)25-13-3-1-2-12(8-13)23-16(24)11-6-7-21-9-11;1-2-4-6-5-3-1/h1-5,8,10-11,21H,6-7,9H2,(H,23,24);1-6H.
What are the key properties of benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide?
benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 156839339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).