1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea

C16H17FN2O — CID 51290878

IUPAC1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-12(14-5-3-2-4-6-14)19-16(20)18-11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3,(H2,18,19,20)
InChIKeyBFSXRTIPRUBQQF-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.39
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea

1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea (PubChem CID 51290878) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
PubChem CID51290878
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H17FN2O/c1-12(14-5-3-2-4-6-14)19-16(20)18-11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3,(H2,18,19,20)
InChIKeyBFSXRTIPRUBQQF-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea
CID 46486002
methyl 4-[(1-phenylethylcarbamoylamino)methyl]benzoate
CID 127567013
3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 41236910
1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949028
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea (CID 51290878) is 1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea is CC(NC(=O)NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea?
The InChIKey is BFSXRTIPRUBQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12(14-5-3-2-4-6-14)19-16(20)18-11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea?
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea has a molecular weight of 272.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 51290878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).