1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea

C16H9F2N3O3 — CID 23373153

IUPAC1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea
SMILESO=C(NN=c1c(=O)c2ccccc2c1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H9F2N3O3/c17-8-5-6-12(11(18)7-8)19-16(24)21-20-13-14(22)9-3-1-2-4-10(9)15(13)23/h1-7H,(H2,19,21,24)
InChIKeyFXDQFYXSXRWFFC-UHFFFAOYSA-N
MW329.26 g/mol
LogP1.35
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea

1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea (PubChem CID 23373153) has the molecular formula C16H9F2N3O3 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea
PubChem CID23373153
Molecular FormulaC16H9F2N3O3
Molecular Weight329.26 g/mol
Exact Mass329.06
IUPAC Name1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea
SMILESO=C(NN=c1c(=O)c2ccccc2c1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H9F2N3O3/c17-8-5-6-12(11(18)7-8)19-16(24)21-20-13-14(22)9-3-1-2-4-10(9)15(13)23/h1-7H,(H2,19,21,24)
InChIKeyFXDQFYXSXRWFFC-UHFFFAOYSA-N
XLogP1.35
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832
N-(2,4-difluorophenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698180
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea
CID 51062877
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
CID 1450122

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea (CID 23373153) is 1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea is O=C(NN=c1c(=O)c2ccccc2c1=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea?
The InChIKey is FXDQFYXSXRWFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3O3/c17-8-5-6-12(11(18)7-8)19-16(24)21-20-13-14(22)9-3-1-2-4-10(9)15(13)23/h1-7H,(H2,19,21,24).
What are the key properties of 1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea?
1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea has a molecular weight of 329.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea is sourced from PubChem (CID 23373153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).