1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea

C13H11F2N3O3 — CID 2954537

IUPAC1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea
SMILESCc1occc1C(=O)NNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H11F2N3O3/c1-7-9(4-5-21-7)12(19)17-18-13(20)16-11-3-2-8(14)6-10(11)15/h2-6H,1H3,(H,17,19)(H2,16,18,20)
InChIKeySAKWXCPWSQYDGU-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.33
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea

1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea (PubChem CID 2954537) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea
PubChem CID2954537
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea
SMILESCc1occc1C(=O)NNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H11F2N3O3/c1-7-9(4-5-21-7)12(19)17-18-13(20)16-11-3-2-8(14)6-10(11)15/h2-6H,1H3,(H,17,19)(H2,16,18,20)
InChIKeySAKWXCPWSQYDGU-UHFFFAOYSA-N
XLogP2.33
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea (CID 2954537) is 1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea is Cc1occc1C(=O)NNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea?
The InChIKey is SAKWXCPWSQYDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c1-7-9(4-5-21-7)12(19)17-18-13(20)16-11-3-2-8(14)6-10(11)15/h2-6H,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea?
1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea has a molecular weight of 295.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea is sourced from PubChem (CID 2954537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).