1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea

C18H18FN3O — CID 18575272

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(C1=NCCC1)c1cccc(F)c1
InChIInChI=1S/C18H18FN3O/c1-13-6-2-3-9-16(13)21-18(23)22(17-10-5-11-20-17)15-8-4-7-14(19)12-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,23)
InChIKeyQHLYHQXBWSGBQH-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.36
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea

1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea (PubChem CID 18575272) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea
PubChem CID18575272
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(C1=NCCC1)c1cccc(F)c1
InChIInChI=1S/C18H18FN3O/c1-13-6-2-3-9-16(13)21-18(23)22(17-10-5-11-20-17)15-8-4-7-14(19)12-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,23)
InChIKeyQHLYHQXBWSGBQH-UHFFFAOYSA-N
XLogP4.36
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea (CID 18575272) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N(C1=NCCC1)c1cccc(F)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea?
The InChIKey is QHLYHQXBWSGBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-13-6-2-3-9-16(13)21-18(23)22(17-10-5-11-20-17)15-8-4-7-14(19)12-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,23).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea?
1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea has a molecular weight of 311.36 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 18575272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).