1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea

C10H12FN3O3 — CID 116656949

IUPAC1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O3/c1-6(2)12-10(15)13-8-5-7(11)3-4-9(8)14(16)17/h3-6H,1-2H3,(H2,12,13,15)
InChIKeyJOSJUWBFENUBMM-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.26
Rot. Bonds3

About 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea

1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea (PubChem CID 116656949) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea
PubChem CID116656949
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O3/c1-6(2)12-10(15)13-8-5-7(11)3-4-9(8)14(16)17/h3-6H,1-2H3,(H2,12,13,15)
InChIKeyJOSJUWBFENUBMM-UHFFFAOYSA-N
XLogP2.26
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.26
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'}

Analyze 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-(5-fluoro-2-nitrophenyl)urea
CID 116656955
N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide
CID 78914527
3-(5-fluoro-2-nitroanilino)-2-methylbutan-1-ol
CID 113484866
methyl 2-(5-fluoro-2-nitroanilino)propanoate
CID 62376064
N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide
CID 110461317
2-(aminomethyl)-N-(5-fluoro-2-nitrophenyl)-4,4-dimethylpentanamide
CID 107472536
2-(5-fluoro-2-nitroanilino)-3-methylbutanamide
CID 106346093
ethyl 3-(5-fluoro-2-nitroanilino)-3-oxopropanoate
CID 58328051
2-(5-fluoro-2-nitroanilino)-4-methylpentanoic acid
CID 62374033
N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
CID 55097088
1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)carbamoylamino]-4-nitrophenyl]urea
CID 4142280
4-(5-fluoro-2-nitroanilino)-2-methylbutanoic acid
CID 80539498

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea (CID 116656949) is 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea?
The InChIKey is JOSJUWBFENUBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-6(2)12-10(15)13-8-5-7(11)3-4-9(8)14(16)17/h3-6H,1-2H3,(H2,12,13,15).
What are the key properties of 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea?
1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea has a molecular weight of 241.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea is sourced from PubChem (CID 116656949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).