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

C17H19FN2O2 — CID 51046163

IUPAC1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
SMILESCCCOc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-11-22-16-9-3-13(4-10-16)12-19-17(21)20-15-7-5-14(18)6-8-15/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyPTPVPZYAGSWYKG-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.94
Rot. Bonds6

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

1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea (PubChem CID 51046163) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
PubChem CID51046163
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
SMILESCCCOc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-11-22-16-9-3-13(4-10-16)12-19-17(21)20-15-7-5-14(18)6-8-15/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyPTPVPZYAGSWYKG-UHFFFAOYSA-N
XLogP3.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
1-(4-butoxy-2-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 60554481
ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea (CID 51046163) is 1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea is CCCOc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea?
The InChIKey is PTPVPZYAGSWYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-11-22-16-9-3-13(4-10-16)12-19-17(21)20-15-7-5-14(18)6-8-15/h3-10H,2,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea?
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea has a molecular weight of 302.35 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea is sourced from PubChem (CID 51046163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).