1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea

C14H15FN4O2 — CID 4825620

IUPAC1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
SMILESCn1cccc1CC(=O)NNC(=O)Nc1ccccc1F
InChIInChI=1S/C14H15FN4O2/c1-19-8-4-5-10(19)9-13(20)17-18-14(21)16-12-7-3-2-6-11(12)15/h2-8H,9H2,1H3,(H,17,20)(H2,16,18,21)
InChIKeyWLSJRXKJFWNQQF-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.56
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea

1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea (PubChem CID 4825620) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
PubChem CID4825620
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
SMILESCn1cccc1CC(=O)NNC(=O)Nc1ccccc1F
InChIInChI=1S/C14H15FN4O2/c1-19-8-4-5-10(19)9-13(20)17-18-14(21)16-12-7-3-2-6-11(12)15/h2-8H,9H2,1H3,(H,17,20)(H2,16,18,21)
InChIKeyWLSJRXKJFWNQQF-UHFFFAOYSA-N
XLogP1.56
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[[[2-(1-methylpyrrol-2-yl)acetyl]amino]carbamothioyl]benzamide
CID 2328136
1-(3-Chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
CID 2321543
1-(4-Chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
CID 2321545
1-(4-Fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
CID 2321546
1-(4-Chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiourea
CID 2327841
1-(2-Chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiourea
CID 2327853
1-(4-Fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiourea
CID 2327922
Hydrazinecarboxamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl-
CID 9589549
2-(1-methyl-1H-pyrrol-2-yl)acetohydrazide
CID 1987748
1-[[1-(4-Fluorophenyl)pyrrole-2-carbonyl]amino]-3-phenylurea
CID 2740989
2-[1-(4-Fluorophenyl)-1H-pyrrol-2-YL]-N-(propan-2-YL)acetamide
CID 53147943
2-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
CID 53147947

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea (CID 4825620) is 1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea is Cn1cccc1CC(=O)NNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea?
The InChIKey is WLSJRXKJFWNQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-19-8-4-5-10(19)9-13(20)17-18-14(21)16-12-7-3-2-6-11(12)15/h2-8H,9H2,1H3,(H,17,20)(H2,16,18,21).
What are the key properties of 1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea?
1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea has a molecular weight of 290.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea is sourced from PubChem (CID 4825620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).