(4-fluoro-2-nitrophenyl)urea

C7H6FN3O3 — CID 69476086

IUPAC(4-fluoro-2-nitrophenyl)urea
SMILESNC(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6FN3O3/c8-4-1-2-5(10-7(9)12)6(3-4)11(13)14/h1-3H,(H3,9,10,12)
InChIKeyZTJIJVMMWIGCJR-UHFFFAOYSA-N
MW199.14 g/mol
LogP1.22
Rot. Bonds2

About (4-fluoro-2-nitrophenyl)urea

(4-fluoro-2-nitrophenyl)urea (PubChem CID 69476086) has the molecular formula C7H6FN3O3 and a molecular weight of 199.14 g/mol. Its IUPAC name is (4-fluoro-2-nitrophenyl)urea.

Molecular Properties

Compound Name(4-fluoro-2-nitrophenyl)urea
PubChem CID69476086
Molecular FormulaC7H6FN3O3
Molecular Weight199.14 g/mol
Exact Mass199.04
IUPAC Name(4-fluoro-2-nitrophenyl)urea
SMILESNC(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6FN3O3/c8-4-1-2-5(10-7(9)12)6(3-4)11(13)14/h1-3H,(H3,9,10,12)
InChIKeyZTJIJVMMWIGCJR-UHFFFAOYSA-N
XLogP1.22
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 51.22
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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Related Compounds

(4-bromo-2-nitrophenyl)urea
CID 54074030
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 61179807
CID 171371571
CID 171371571
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 61179993
2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 76887834
N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
CID 55097088
3-amino-4-(4-fluoro-2-nitroanilino)-4-oxobutanoic acid
CID 64896853
3-chloro-N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
CID 63679959
(2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate
CID 134086446
4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417
(2S,3S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylpentanamide
CID 61179992

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-nitrophenyl)urea?
The IUPAC name of (4-fluoro-2-nitrophenyl)urea (CID 69476086) is (4-fluoro-2-nitrophenyl)urea.
What is the SMILES notation for (4-fluoro-2-nitrophenyl)urea?
The canonical SMILES for (4-fluoro-2-nitrophenyl)urea is NC(=O)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of (4-fluoro-2-nitrophenyl)urea?
The InChIKey is ZTJIJVMMWIGCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O3/c8-4-1-2-5(10-7(9)12)6(3-4)11(13)14/h1-3H,(H3,9,10,12).
What are the key properties of (4-fluoro-2-nitrophenyl)urea?
(4-fluoro-2-nitrophenyl)urea has a molecular weight of 199.14 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-nitrophenyl)urea is sourced from PubChem (CID 69476086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).