1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea

C14H11F2N3O3 — CID 2956028

IUPAC1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H11F2N3O3/c1-8-6-10(19(21)22)3-5-12(8)17-14(20)18-13-4-2-9(15)7-11(13)16/h2-7H,1H3,(H2,17,18,20)
InChIKeyQUTJYKWVDDQSCH-UHFFFAOYSA-N
MW307.26 g/mol
LogP3.83
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea

1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea (PubChem CID 2956028) has the molecular formula C14H11F2N3O3 and a molecular weight of 307.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea
PubChem CID2956028
Molecular FormulaC14H11F2N3O3
Molecular Weight307.26 g/mol
Exact Mass307.08
IUPAC Name1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H11F2N3O3/c1-8-6-10(19(21)22)3-5-12(8)17-14(20)18-13-4-2-9(15)7-11(13)16/h2-7H,1H3,(H2,17,18,20)
InChIKeyQUTJYKWVDDQSCH-UHFFFAOYSA-N
XLogP3.83
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'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-methyl-4-nitrophenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea (CID 2956028) is 1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea is Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea?
The InChIKey is QUTJYKWVDDQSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3/c1-8-6-10(19(21)22)3-5-12(8)17-14(20)18-13-4-2-9(15)7-11(13)16/h2-7H,1H3,(H2,17,18,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea?
1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea has a molecular weight of 307.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-methyl-4-nitrophenyl)urea is sourced from PubChem (CID 2956028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).