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

C15H16FN3O — CID 43298096

IUPAC1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea
SMILESCC(NC(=O)Nc1ccc(F)cc1)c1cccc(N)c1
InChIInChI=1S/C15H16FN3O/c1-10(11-3-2-4-13(17)9-11)18-15(20)19-14-7-5-12(16)6-8-14/h2-10H,17H2,1H3,(H2,18,19,20)
InChIKeyJPFLPKYZWGXRMD-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.29
Rot. Bonds3

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

1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea (PubChem CID 43298096) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea
PubChem CID43298096
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea
SMILESCC(NC(=O)Nc1ccc(F)cc1)c1cccc(N)c1
InChIInChI=1S/C15H16FN3O/c1-10(11-3-2-4-13(17)9-11)18-15(20)19-14-7-5-12(16)6-8-14/h2-10H,17H2,1H3,(H2,18,19,20)
InChIKeyJPFLPKYZWGXRMD-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-[1-(3-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298097
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 61499885
1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 26008081
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-fluorophenyl)urea
CID 24819117
N-[1-(3-aminophenyl)ethyl]-2-bromo-5-fluorobenzamide
CID 43297707
N-[1-(3-aminophenyl)ethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309035
N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
CID 51944566
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea (CID 43298096) is 1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea is CC(NC(=O)Nc1ccc(F)cc1)c1cccc(N)c1.
What is the InChIKey of 1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea?
The InChIKey is JPFLPKYZWGXRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10(11-3-2-4-13(17)9-11)18-15(20)19-14-7-5-12(16)6-8-14/h2-10H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea?
1-[1-(3-aminophenyl)ethyl]-3-(4-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-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 43298096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).