[4-[1-(2-fluoroanilino)ethyl]phenyl]urea

C15H16FN3O — CID 43763368

IUPAC[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
SMILESCC(Nc1ccccc1F)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H16FN3O/c1-10(18-14-5-3-2-4-13(14)16)11-6-8-12(9-7-11)19-15(17)20/h2-10,18H,1H3,(H3,17,19,20)
InChIKeyZAAPZZSSNMFNOP-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.49
Rot. Bonds4

About [4-[1-(2-fluoroanilino)ethyl]phenyl]urea

[4-[1-(2-fluoroanilino)ethyl]phenyl]urea (PubChem CID 43763368) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is [4-[1-(2-fluoroanilino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
PubChem CID43763368
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
SMILESCC(Nc1ccccc1F)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H16FN3O/c1-10(18-14-5-3-2-4-13(14)16)11-6-8-12(9-7-11)19-15(17)20/h2-10,18H,1H3,(H3,17,19,20)
InChIKeyZAAPZZSSNMFNOP-UHFFFAOYSA-N
XLogP3.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [4-[1-(2-fluoroanilino)ethyl]phenyl]urea 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

N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
[4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea
CID 103478127
[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea
CID 43774024
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
CID 43784748
2-fluoro-6-(1-phenylethylamino)benzenecarbothioamide
CID 79513765
1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea
CID 17398492
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55963207

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-fluoroanilino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(2-fluoroanilino)ethyl]phenyl]urea (CID 43763368) is [4-[1-(2-fluoroanilino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(2-fluoroanilino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(2-fluoroanilino)ethyl]phenyl]urea is CC(Nc1ccccc1F)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(2-fluoroanilino)ethyl]phenyl]urea?
The InChIKey is ZAAPZZSSNMFNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10(18-14-5-3-2-4-13(14)16)11-6-8-12(9-7-11)19-15(17)20/h2-10,18H,1H3,(H3,17,19,20).
What are the key properties of [4-[1-(2-fluoroanilino)ethyl]phenyl]urea?
[4-[1-(2-fluoroanilino)ethyl]phenyl]urea has a molecular weight of 273.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-fluoroanilino)ethyl]phenyl]urea is sourced from PubChem (CID 43763368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).