1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea

C19H20FN3O — CID 113084219

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea
SMILESCC(C)(CNC(=O)Nc1ccccc1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H20FN3O/c1-19(2,12-22-18(24)23-14-6-4-3-5-7-14)16-11-21-17-9-8-13(20)10-15(16)17/h3-11,21H,12H2,1-2H3,(H2,22,23,24)
InChIKeyJLOWOCKFOQNGED-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.41
Rot. Bonds4

About 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea

1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea (PubChem CID 113084219) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea
PubChem CID113084219
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea
SMILESCC(C)(CNC(=O)Nc1ccccc1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H20FN3O/c1-19(2,12-22-18(24)23-14-6-4-3-5-7-14)16-11-21-17-9-8-13(20)10-15(16)17/h3-11,21H,12H2,1-2H3,(H2,22,23,24)
InChIKeyJLOWOCKFOQNGED-UHFFFAOYSA-N
XLogP4.41
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea 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

N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
CID 113084215
2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide
CID 113084172
3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084202
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113209917
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea (CID 113084219) is 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea is CC(C)(CNC(=O)Nc1ccccc1)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea?
The InChIKey is JLOWOCKFOQNGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-19(2,12-22-18(24)23-14-6-4-3-5-7-14)16-11-21-17-9-8-13(20)10-15(16)17/h3-11,21H,12H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea?
1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea has a molecular weight of 325.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea is sourced from PubChem (CID 113084219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).