1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea

C16H15FN4O — CID 22337656

IUPAC1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
SMILESCn1ncc2c(NC(=O)NCc3ccccc3F)cccc21
InChIInChI=1S/C16H15FN4O/c1-21-15-8-4-7-14(12(15)10-19-21)20-16(22)18-9-11-5-2-3-6-13(11)17/h2-8,10H,9H2,1H3,(H2,18,20,22)
InChIKeyGBAYWBKTRQWXNF-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.03
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea

1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea (PubChem CID 22337656) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
PubChem CID22337656
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
SMILESCn1ncc2c(NC(=O)NCc3ccccc3F)cccc21
InChIInChI=1S/C16H15FN4O/c1-21-15-8-4-7-14(12(15)10-19-21)20-16(22)18-9-11-5-2-3-6-13(11)17/h2-8,10H,9H2,1H3,(H2,18,20,22)
InChIKeyGBAYWBKTRQWXNF-UHFFFAOYSA-N
XLogP3.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dichlorophenyl)methyl]-3-(1-methylindazol-4-yl)urea
CID 90695813
1-(1-methylindazol-4-yl)-3-[(1-methylindol-5-yl)methyl]urea
CID 16749465
1,1-dimethyl-3-(1-methylindazol-4-yl)urea
CID 171763124
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055058
1-(1H-benzimidazol-2-ylmethyl)-3-[(1-methylindazol-4-yl)methyl]urea
CID 167915157
1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1-methylindazol-4-yl)urea
CID 66550281
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
N-[(2-fluorophenyl)methyl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 18150388
1-chloro-2-(1-methylindazol-4-yl)hydrazine
CID 88866693

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea (CID 22337656) is 1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea is Cn1ncc2c(NC(=O)NCc3ccccc3F)cccc21.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea?
The InChIKey is GBAYWBKTRQWXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-21-15-8-4-7-14(12(15)10-19-21)20-16(22)18-9-11-5-2-3-6-13(11)17/h2-8,10H,9H2,1H3,(H2,18,20,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea?
1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea has a molecular weight of 298.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(1-methylindazol-4-yl)urea is sourced from PubChem (CID 22337656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).