N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide

C17H21FN2O2 — CID 97082451

IUPACN-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc[nH]1
InChIInChI=1S/C17H21FN2O2/c1-12(2)10-20(17(22)15-4-3-9-19-15)11-16(21)13-5-7-14(18)8-6-13/h3-9,12,16,19,21H,10-11H2,1-2H3/t16-/m0/s1
InChIKeyZWNYFANWNNYODF-INIZCTEOSA-N
MW304.37 g/mol
LogP2.99
Rot. Bonds6

About N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide

N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 97082451) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID97082451
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc[nH]1
InChIInChI=1S/C17H21FN2O2/c1-12(2)10-20(17(22)15-4-3-9-19-15)11-16(21)13-5-7-14(18)8-6-13/h3-9,12,16,19,21H,10-11H2,1-2H3/t16-/m0/s1
InChIKeyZWNYFANWNNYODF-INIZCTEOSA-N
XLogP2.99
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide
CID 71968911
4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride
CID 120562857
3-ethyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 138995809
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163
4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 97226208
3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide
CID 120610892
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 95772319
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
CID 111462207
N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 97011235
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
CID 111462190
1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol
CID 133411082

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide (CID 97082451) is N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide is CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc[nH]1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZWNYFANWNNYODF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12(2)10-20(17(22)15-4-3-9-19-15)11-16(21)13-5-7-14(18)8-6-13/h3-9,12,16,19,21H,10-11H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 97082451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).