N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H13F3N2O2 — CID 63710418

IUPACN-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)11(4-5-16-7-11)10(19)17-8-2-1-3-9(18)6-8/h1-3,6,16,18H,4-5,7H2,(H,17,19)
InChIKeyXNLSFRIOJQKVFA-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.87
Rot. Bonds2

About N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710418) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710418
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)11(4-5-16-7-11)10(19)17-8-2-1-3-9(18)6-8/h1-3,6,16,18H,4-5,7H2,(H,17,19)
InChIKeyXNLSFRIOJQKVFA-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63720093
3-(trifluoromethyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63719915
N-(3-fluoro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79049706
N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710231
N-(4-bromo-3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82861189
N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 83078951
N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710039
N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82801087
N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709325
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710910
N-(2,5-dichloro-4-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 104727096
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710418) is N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(O)c1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is XNLSFRIOJQKVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)11(4-5-16-7-11)10(19)17-8-2-1-3-9(18)6-8/h1-3,6,16,18H,4-5,7H2,(H,17,19).
What are the key properties of N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).