N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide

C19H18F4N2O3 — CID 89480209

IUPACN-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
SMILESO=C(NC1CC=C(c2ccc(F)cc2)CC1)C1=C(O)C(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C19H18F4N2O3/c20-13-5-1-11(2-6-13)12-3-7-14(8-4-12)24-17(27)15-9-25(10-19(21,22)23)18(28)16(15)26/h1-3,5-6,14,26H,4,7-10H2,(H,24,27)
InChIKeyBAYFVCFMSMPJIJ-UHFFFAOYSA-N
MW398.36 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide

N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide (PubChem CID 89480209) has the molecular formula C19H18F4N2O3 and a molecular weight of 398.36 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
PubChem CID89480209
Molecular FormulaC19H18F4N2O3
Molecular Weight398.36 g/mol
Exact Mass398.13
IUPAC NameN-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
SMILESO=C(NC1CC=C(c2ccc(F)cc2)CC1)C1=C(O)C(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C19H18F4N2O3/c20-13-5-1-11(2-6-13)12-3-7-14(8-4-12)24-17(27)15-9-25(10-19(21,22)23)18(28)16(15)26/h1-3,5-6,14,26H,4,7-10H2,(H,24,27)
InChIKeyBAYFVCFMSMPJIJ-UHFFFAOYSA-N
XLogP3.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
CID 90330569
1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 54733174
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(m-tolylmethyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 54733175
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
CID 54733177
N-[(4-fluorophenyl)methyl]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
CID 54733182
4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide
CID 89489375
4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
CID 90302077
4-hydroxy-1-methyl-5-oxo-N-[3-[2-(trifluoromethyl)phenyl]propyl]-2H-pyrrole-3-carboxamide
CID 89489474
4-hydroxy-1-methyl-5-oxo-N-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-pyrrole-3-carboxamide
CID 90330565
N-[[3-(2-fluorophenyl)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330568
4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-1-(4,4,4-trifluorobutyl)-2H-pyrrole-3-carboxamide
CID 90330655
N-[(1R)-1-[3-(3-fluorophenyl)phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330657

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide (CID 89480209) is N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide is O=C(NC1CC=C(c2ccc(F)cc2)CC1)C1=C(O)C(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide?
The InChIKey is BAYFVCFMSMPJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O3/c20-13-5-1-11(2-6-13)12-3-7-14(8-4-12)24-17(27)15-9-25(10-19(21,22)23)18(28)16(15)26/h1-3,5-6,14,26H,4,7-10H2,(H,24,27).
What are the key properties of N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide?
N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide has a molecular weight of 398.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]-4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89480209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).