4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide

C19H25FN2O2 — CID 111485358

IUPAC4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2/c1-13(2)8-9-19(3,24)12-22-18(23)17-11-21-10-16(17)14-4-6-15(20)7-5-14/h4-7,10-11,13,21,24H,8-9,12H2,1-3H3,(H,22,23)
InChIKeyWTQUGWFCXNZFRH-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.74
Rot. Bonds7

About 4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide

4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide (PubChem CID 111485358) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide
PubChem CID111485358
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2/c1-13(2)8-9-19(3,24)12-22-18(23)17-11-21-10-16(17)14-4-6-15(20)7-5-14/h4-7,10-11,13,21,24H,8-9,12H2,1-3H3,(H,22,23)
InChIKeyWTQUGWFCXNZFRH-UHFFFAOYSA-N
XLogP3.74
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide
CID 111462962
5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 71989683
N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 111485393
2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111825762
N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
CID 111485413
3-bromo-N-(2-hydroxy-2,5-dimethylhexyl)thiophene-2-carboxamide
CID 111485433
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
5-[(2-hydroxy-2,5-dimethylhexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685725
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
5-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylbenzamide
CID 66179284
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
CID 111485139

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide (CID 111485358) is 4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide is CC(C)CCC(C)(O)CNC(=O)c1c[nH]cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide?
The InChIKey is WTQUGWFCXNZFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-13(2)8-9-19(3,24)12-22-18(23)17-11-21-10-16(17)14-4-6-15(20)7-5-14/h4-7,10-11,13,21,24H,8-9,12H2,1-3H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide?
4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 111485358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).