1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea

C14H12FN3O3 — CID 108898481

IUPAC1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
SMILESO=C(NCc1cccc(F)c1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12FN3O3/c15-11-4-1-3-10(7-11)9-16-14(19)17-12-5-2-6-13(8-12)18(20)21/h1-8H,9H2,(H2,16,17,19)
InChIKeyZOGZKTVWJCSCBG-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.06
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea

1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea (PubChem CID 108898481) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
PubChem CID108898481
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
SMILESO=C(NCc1cccc(F)c1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12FN3O3/c15-11-4-1-3-10(7-11)9-16-14(19)17-12-5-2-6-13(8-12)18(20)21/h1-8H,9H2,(H2,16,17,19)
InChIKeyZOGZKTVWJCSCBG-UHFFFAOYSA-N
XLogP3.06
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.06
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

1-[(3-fluorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 108898480
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
CID 142259796
1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(3-nitrophenyl)methyl]urea
CID 143012773
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(3-nitrophenyl)urea
CID 38283099
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
CID 108865379
1-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 78786561
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea (CID 108898481) is 1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea is O=C(NCc1cccc(F)c1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea?
The InChIKey is ZOGZKTVWJCSCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-11-4-1-3-10(7-11)9-16-14(19)17-12-5-2-6-13(8-12)18(20)21/h1-8H,9H2,(H2,16,17,19).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea?
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea has a molecular weight of 289.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea is sourced from PubChem (CID 108898481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).