4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide

C14H17F3N2O2 — CID 119808841

IUPAC4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCC(F)(F)F)cc1)C1CC(O)CN1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)6-5-9-1-3-10(4-2-9)19-13(21)12-7-11(20)8-18-12/h1-4,11-12,18,20H,5-8H2,(H,19,21)
InChIKeyLMBCFSWCDSUIEO-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.84
Rot. Bonds4

About 4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119808841) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119808841
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCC(F)(F)F)cc1)C1CC(O)CN1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)6-5-9-1-3-10(4-2-9)19-13(21)12-7-11(20)8-18-12/h1-4,11-12,18,20H,5-8H2,(H,19,21)
InChIKeyLMBCFSWCDSUIEO-UHFFFAOYSA-N
XLogP1.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 119742872
4-hydroxy-N-[4-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119749178
(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120636884
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119871140
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703990
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119866796
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119698538
N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214462
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
4-hydroxy-N-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 119871848

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide (CID 119808841) is 4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(CCC(F)(F)F)cc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is LMBCFSWCDSUIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)6-5-9-1-3-10(4-2-9)19-13(21)12-7-11(20)8-18-12/h1-4,11-12,18,20H,5-8H2,(H,19,21).
What are the key properties of 4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119808841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).