2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide

C24H27FN2O3 — CID 118674016

IUPAC2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide
SMILESCc1c(CC(=O)NCCCO)cc(-c2ccc([C@@H](C)O)cc2)n1-c1cccc(F)c1
InChIInChI=1S/C24H27FN2O3/c1-16-20(14-24(30)26-11-4-12-28)13-23(19-9-7-18(8-10-19)17(2)29)27(16)22-6-3-5-21(25)15-22/h3,5-10,13,15,17,28-29H,4,11-12,14H2,1-2H3,(H,26,30)/t17-/m1/s1
InChIKeyVYAMPCHBCKMOQB-QGZVFWFLSA-N
MW410.49 g/mol
LogP3.69
Rot. Bonds8

About 2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide

2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide (PubChem CID 118674016) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide
PubChem CID118674016
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide
SMILESCc1c(CC(=O)NCCCO)cc(-c2ccc([C@@H](C)O)cc2)n1-c1cccc(F)c1
InChIInChI=1S/C24H27FN2O3/c1-16-20(14-24(30)26-11-4-12-28)13-23(19-9-7-18(8-10-19)17(2)29)27(16)22-6-3-5-21(25)15-22/h3,5-10,13,15,17,28-29H,4,11-12,14H2,1-2H3,(H,26,30)/t17-/m1/s1
InChIKeyVYAMPCHBCKMOQB-QGZVFWFLSA-N
XLogP3.69
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide (CID 118674016) is 2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide is Cc1c(CC(=O)NCCCO)cc(-c2ccc([C@@H](C)O)cc2)n1-c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide?
The InChIKey is VYAMPCHBCKMOQB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-16-20(14-24(30)26-11-4-12-28)13-23(19-9-7-18(8-10-19)17(2)29)27(16)22-6-3-5-21(25)15-22/h3,5-10,13,15,17,28-29H,4,11-12,14H2,1-2H3,(H,26,30)/t17-/m1/s1.
What are the key properties of 2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide?
2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide has a molecular weight of 410.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-methylpyrrol-3-yl]-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 118674016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).