N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide

C14H13F3N2O2 — CID 159006341

IUPACN-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC(CO)c1cccc(C(F)(F)F)c1)c1ccc[nH]1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)10-4-1-3-9(7-10)12(8-20)19-13(21)11-5-2-6-18-11/h1-7,12,18,20H,8H2,(H,19,21)
InChIKeyJRYUHFOWGFEKDM-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.50
Rot. Bonds4

About N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide

N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 159006341) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID159006341
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC NameN-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC(CO)c1cccc(C(F)(F)F)c1)c1ccc[nH]1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)10-4-1-3-9(7-10)12(8-20)19-13(21)11-5-2-6-18-11/h1-7,12,18,20H,8H2,(H,19,21)
InChIKeyJRYUHFOWGFEKDM-UHFFFAOYSA-N
XLogP2.50
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 63184689
N-[(R)-1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 124888347
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 157294657
1-(3-chloro-2-fluorophenyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 166264320
1-(2-bicyclo[2.1.1]hexanyl)-3-[(1R)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 170133869
4-[4-[acetyl(dimethylamino)amino]-1,3,5-triazin-2-yl]-N-[(1R)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 10390277
1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 162524368
N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1H-pyrrole-2-carboxamide
CID 97237297
N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 9400205
N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480984
N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124589498
N-[(2R)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124589497

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide (CID 159006341) is N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide is O=C(NC(CO)c1cccc(C(F)(F)F)c1)c1ccc[nH]1.
What is the InChIKey of N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JRYUHFOWGFEKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c15-14(16,17)10-4-1-3-9(7-10)12(8-20)19-13(21)11-5-2-6-18-11/h1-7,12,18,20H,8H2,(H,19,21).
What are the key properties of N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 298.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 159006341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).