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

C18H14FNO2 — CID 18363446

IUPAC1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H14FNO2/c19-15-8-6-13(7-9-15)12-20-16(10-11-17(20)18(21)22)14-4-2-1-3-5-14/h1-11H,12H2,(H,21,22)
InChIKeyHVMOMTSTMCKZSZ-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.04
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid (PubChem CID 18363446) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid
PubChem CID18363446
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H14FNO2/c19-15-8-6-13(7-9-15)12-20-16(10-11-17(20)18(21)22)14-4-2-1-3-5-14/h1-11H,12H2,(H,21,22)
InChIKeyHVMOMTSTMCKZSZ-UHFFFAOYSA-N
XLogP4.04
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Indole-2-carboxylic acid, 1-methyl-
CID 27695
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
CID 459078
4-(2,5-Dimethyl-Pyrrol-1-Ylmethyl)-Benzoic Acid
CID 659752
Benzoic acid, p-(2-methyl-5-phenylpyrrol-1-yl)-
CID 213331
1-Phenyl-1H-Indole-2-Carboxylic Acid
CID 646116
1-(Carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
CID 46398840
3-formyl-1-(4-vinylbenzyl)-1H-indole-2-carboxylic acid
CID 3544180
1-(2-fluorobenzyl)-3-formyl-1H-indole-2-carboxylic acid
CID 3640365
1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CID 3312874
3-(2-Methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid
CID 213330
5-phenyl-1H-pyrrole-2-carboxylic acid
CID 226199
5-Fluoro-1-methyl-1H-indole-2-carboxylic acid
CID 662546

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid (CID 18363446) is 1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2)n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid?
The InChIKey is HVMOMTSTMCKZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-15-8-6-13(7-9-15)12-20-16(10-11-17(20)18(21)22)14-4-2-1-3-5-14/h1-11H,12H2,(H,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid?
1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-phenylpyrrole-2-carboxylic acid is sourced from PubChem (CID 18363446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).