1-(4-fluoroanilino)-3-(3-nitrophenyl)urea

C13H11FN4O3 — CID 51223381

IUPAC1-(4-fluoroanilino)-3-(3-nitrophenyl)urea
SMILESO=C(NNc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11FN4O3/c14-9-4-6-10(7-5-9)16-17-13(19)15-11-2-1-3-12(8-11)18(20)21/h1-8,16H,(H2,15,17,19)
InChIKeyQQSRBEPRHQHTPO-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-fluoroanilino)-3-(3-nitrophenyl)urea

1-(4-fluoroanilino)-3-(3-nitrophenyl)urea (PubChem CID 51223381) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-(4-fluoroanilino)-3-(3-nitrophenyl)urea
PubChem CID51223381
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name1-(4-fluoroanilino)-3-(3-nitrophenyl)urea
SMILESO=C(NNc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11FN4O3/c14-9-4-6-10(7-5-9)16-17-13(19)15-11-2-1-3-12(8-11)18(20)21/h1-8,16H,(H2,15,17,19)
InChIKeyQQSRBEPRHQHTPO-UHFFFAOYSA-N
XLogP2.88
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[4-[(3-nitrophenyl)carbamoylamino]anilino]carbamoyl iodide
CID 88714573
1-(4-fluorophenyl)-3-(3-nitrophenyl)thiourea
CID 832896
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
N-(4-fluorophenyl)-2-[2-(3-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 26561688
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide
CID 5073595
1-(3-nitrophenyl)-3-(trifluoromethyl)urea
CID 108865882
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
CID 108898481
4-(4-fluorophenyl)-N-(3-nitrophenyl)-4-oxobutanamide
CID 9411044
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
ethane;N-(3-nitrophenyl)acetamide
CID 90876834

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-3-(3-nitrophenyl)urea?
The IUPAC name of 1-(4-fluoroanilino)-3-(3-nitrophenyl)urea (CID 51223381) is 1-(4-fluoroanilino)-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-(4-fluoroanilino)-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-(4-fluoroanilino)-3-(3-nitrophenyl)urea is O=C(NNc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-fluoroanilino)-3-(3-nitrophenyl)urea?
The InChIKey is QQSRBEPRHQHTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c14-9-4-6-10(7-5-9)16-17-13(19)15-11-2-1-3-12(8-11)18(20)21/h1-8,16H,(H2,15,17,19).
What are the key properties of 1-(4-fluoroanilino)-3-(3-nitrophenyl)urea?
1-(4-fluoroanilino)-3-(3-nitrophenyl)urea has a molecular weight of 290.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-3-(3-nitrophenyl)urea is sourced from PubChem (CID 51223381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).