3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea

C15H18FN3O2 — CID 110010393

IUPAC3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
SMILESCC(CO)N(C)C(=O)Nc1cc(-n2cccc2)ccc1F
InChIInChI=1S/C15H18FN3O2/c1-11(10-20)18(2)15(21)17-14-9-12(5-6-13(14)16)19-7-3-4-8-19/h3-9,11,20H,10H2,1-2H3,(H,17,21)
InChIKeyKILNPHJQPRAOFV-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea

3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea (PubChem CID 110010393) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea.

Molecular Properties

Compound Name3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
PubChem CID110010393
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
SMILESCC(CO)N(C)C(=O)Nc1cc(-n2cccc2)ccc1F
InChIInChI=1S/C15H18FN3O2/c1-11(10-20)18(2)15(21)17-14-9-12(5-6-13(14)16)19-7-3-4-8-19/h3-9,11,20H,10H2,1-2H3,(H,17,21)
InChIKeyKILNPHJQPRAOFV-UHFFFAOYSA-N
XLogP2.46
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea 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

4-fluoro-3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426143
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-methoxyurea
CID 75420852
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111422811
3-[[butan-2-yl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61196804
4-chloro-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426178
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide
CID 118769740
(2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95290074
N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537754
1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R)-2-hydroxypropyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 100659373
N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide
CID 100626605
1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R)-2-hydroxypropyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 100659359

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
The IUPAC name of 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea (CID 110010393) is 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea.
What is the SMILES notation for 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
The canonical SMILES for 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea is CC(CO)N(C)C(=O)Nc1cc(-n2cccc2)ccc1F.
What is the InChIKey of 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
The InChIKey is KILNPHJQPRAOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-11(10-20)18(2)15(21)17-14-9-12(5-6-13(14)16)19-7-3-4-8-19/h3-9,11,20H,10H2,1-2H3,(H,17,21).
What are the key properties of 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea?
3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea has a molecular weight of 291.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea is sourced from PubChem (CID 110010393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).