3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate

C20H17FNO2- — CID 3638718

IUPAC3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate
SMILESCc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1
InChIInChI=1S/C20H18FNO2/c1-14-4-2-3-5-18(14)22-17(11-13-20(23)24)10-12-19(22)15-6-8-16(21)9-7-15/h2-10,12H,11,13H2,1H3,(H,23,24)/p-1
InChIKeySECJJYFWXGKHDG-UHFFFAOYSA-M
MW322.36 g/mol
LogP3.27
Rot. Bonds5

About 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate

3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate (PubChem CID 3638718) has the molecular formula C20H17FNO2- and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate
PubChem CID3638718
Molecular FormulaC20H17FNO2-
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate
SMILESCc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1
InChIInChI=1S/C20H18FNO2/c1-14-4-2-3-5-18(14)22-17(11-13-20(23)24)10-12-19(22)15-6-8-16(21)9-7-15/h2-10,12H,11,13H2,1H3,(H,23,24)/p-1
InChIKeySECJJYFWXGKHDG-UHFFFAOYSA-M
XLogP3.27
TPSA45.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(4-bromophenyl)-1-(2-methoxyphenyl)pyrrol-2-yl]propanoate
CID 6977888
3-[5-phenyl-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate
CID 6974962
3-[1-(3-bromophenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoate
CID 6980216
3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoate
CID 2236830
3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate
CID 7278885
3-[1-(2,3-dimethylphenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid
CID 3643938
3-[1-(4-ethoxycarbonyl-3-hydroxyphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoate
CID 4624927
4-[2-(2-carboxylatoethyl)-5-(4-methylphenyl)pyrrol-1-yl]benzoate
CID 4642881
3-[1-(2,5-dimethoxyphenyl)-5-phenylpyrrol-2-yl]propanoate
CID 7111572
3-[1-(4-ethoxycarbonylphenyl)-5-phenylpyrrol-2-yl]propanoate
CID 6981494
3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoic acid
CID 10524261
4-(dimethylamino)-1-[4-[1-(2-methylphenyl)-5-phenylpyrrol-2-yl]phenyl]butan-1-one
CID 157112525

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate?
The IUPAC name of 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate (CID 3638718) is 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate is Cc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate?
The InChIKey is SECJJYFWXGKHDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18FNO2/c1-14-4-2-3-5-18(14)22-17(11-13-20(23)24)10-12-19(22)15-6-8-16(21)9-7-15/h2-10,12H,11,13H2,1H3,(H,23,24)/p-1.
What are the key properties of 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate?
3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate has a molecular weight of 322.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate is sourced from PubChem (CID 3638718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).