1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid

C18H14FNO2 — CID 58358774

IUPAC1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccc(F)cc1
InChIInChI=1S/C18H14FNO2/c1-12-16(18(21)22)11-17(13-5-3-2-4-6-13)20(12)15-9-7-14(19)8-10-15/h2-11H,1H3,(H,21,22)
InChIKeyBLCRFNFRXUEMKP-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.29
Rot. Bonds3

About 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid

1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid (PubChem CID 58358774) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
PubChem CID58358774
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccc(F)cc1
InChIInChI=1S/C18H14FNO2/c1-12-16(18(21)22)11-17(13-5-3-2-4-6-13)20(12)15-9-7-14(19)8-10-15/h2-11H,1H3,(H,21,22)
InChIKeyBLCRFNFRXUEMKP-UHFFFAOYSA-N
XLogP4.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylate
CID 102252856
1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
CID 7212800
(4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)-2-methyl-5-phenylpyrrol-3-yl]methanone
CID 4672434
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072
1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]-2,2-diphenylethanone
CID 46127625
2-methyl-5-phenyl-1-(trifluoromethyl)pyrrole-3-carboxylic acid
CID 174421664
4-[5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 42791698
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
N-(2-fluorophenyl)-4-[5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazine-1-carboxamide
CID 42791676
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278885
N-(2-bromophenyl)-4-[5-(4-fluorophenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide
CID 42666417
methyl 1-(4-ethoxyphenyl)-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate
CID 102252860

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid (CID 58358774) is 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid is Cc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid?
The InChIKey is BLCRFNFRXUEMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-12-16(18(21)22)11-17(13-5-3-2-4-6-13)20(12)15-9-7-14(19)8-10-15/h2-11H,1H3,(H,21,22).
What are the key properties of 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid?
1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid is sourced from PubChem (CID 58358774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).