1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea

C15H16FN3O — CID 43298075

IUPAC1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
SMILESCC(NC(=O)Nc1ccccc1F)c1ccc(N)cc1
InChIInChI=1S/C15H16FN3O/c1-10(11-6-8-12(17)9-7-11)18-15(20)19-14-5-3-2-4-13(14)16/h2-10H,17H2,1H3,(H2,18,19,20)
InChIKeyTUNMVHWCIFBWTH-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.29
Rot. Bonds3

About 1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea

1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea (PubChem CID 43298075) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
PubChem CID43298075
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
SMILESCC(NC(=O)Nc1ccccc1F)c1ccc(N)cc1
InChIInChI=1S/C15H16FN3O/c1-10(11-6-8-12(17)9-7-11)18-15(20)19-14-5-3-2-4-13(14)16/h2-10H,17H2,1H3,(H2,18,19,20)
InChIKeyTUNMVHWCIFBWTH-UHFFFAOYSA-N
XLogP3.29
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-[1-(3-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298097
4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486
1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866821
1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 86856228
1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 43554965
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 47032089
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea (CID 43298075) is 1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea is CC(NC(=O)Nc1ccccc1F)c1ccc(N)cc1.
What is the InChIKey of 1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea?
The InChIKey is TUNMVHWCIFBWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10(11-6-8-12(17)9-7-11)18-15(20)19-14-5-3-2-4-13(14)16/h2-10H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea?
1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea has a molecular weight of 273.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 43298075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).