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

C18H21FN2O2 — CID 38212673

IUPAC1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea
SMILESO=C(NCCCOCc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c19-17-9-7-15(8-10-17)13-21-18(22)20-11-4-12-23-14-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H2,20,21,22)
InChIKeyANBKAWKHKSHNDP-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.23
Rot. Bonds8

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

1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea (PubChem CID 38212673) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea
PubChem CID38212673
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea
SMILESO=C(NCCCOCc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c19-17-9-7-15(8-10-17)13-21-18(22)20-11-4-12-23-14-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H2,20,21,22)
InChIKeyANBKAWKHKSHNDP-UHFFFAOYSA-N
XLogP3.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
3-(benzylcarbamoylamino)propyl dihydrogen phosphate
CID 153200062
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60605473
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 24629442
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
1-benzyl-3-(5-hydroxypentyl)urea
CID 108871315

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea (CID 38212673) is 1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea is O=C(NCCCOCc1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea?
The InChIKey is ANBKAWKHKSHNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-17-9-7-15(8-10-17)13-21-18(22)20-11-4-12-23-14-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H2,20,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea?
1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea has a molecular weight of 316.38 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea is sourced from PubChem (CID 38212673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).