1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea

C16H18FN3O — CID 63233553

IUPAC1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(F)c1)c1ccc(N)cc1
InChIInChI=1S/C16H18FN3O/c1-2-10-20(15-8-6-13(18)7-9-15)16(21)19-14-5-3-4-12(17)11-14/h3-9,11H,2,10,18H2,1H3,(H,19,21)
InChIKeyZLGUMXYJSKXQFE-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.86
Rot. Bonds4

About 1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea

1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea (PubChem CID 63233553) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea
PubChem CID63233553
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(F)c1)c1ccc(N)cc1
InChIInChI=1S/C16H18FN3O/c1-2-10-20(15-8-6-13(18)7-9-15)16(21)19-14-5-3-4-12(17)11-14/h3-9,11H,2,10,18H2,1H3,(H,19,21)
InChIKeyZLGUMXYJSKXQFE-UHFFFAOYSA-N
XLogP3.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
1-(4-aminophenyl)-3-(3-cyanophenyl)-1-ethylurea
CID 63233699
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42697826
N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
CID 63234104
1-phenyl-1-propyl-3-pyridin-4-ylurea
CID 134101956
1-[(2S)-butan-2-yl]-3-(3-fluorophenyl)-1-methylurea
CID 52662031
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
CID 113158063

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea?
The IUPAC name of 1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea (CID 63233553) is 1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea?
The canonical SMILES for 1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea is CCCN(C(=O)Nc1cccc(F)c1)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea?
The InChIKey is ZLGUMXYJSKXQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-10-20(15-8-6-13(18)7-9-15)16(21)19-14-5-3-4-12(17)11-14/h3-9,11H,2,10,18H2,1H3,(H,19,21).
What are the key properties of 1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea?
1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea has a molecular weight of 287.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea is sourced from PubChem (CID 63233553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).