1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea

C17H19FN2O2 — CID 38197539

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-11-22-16-6-4-3-5-15(16)20-17(21)19-12-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyJXVNNZBBVBUUFR-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.94
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea

1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea (PubChem CID 38197539) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
PubChem CID38197539
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-11-22-16-6-4-3-5-15(16)20-17(21)19-12-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyJXVNNZBBVBUUFR-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-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea
CID 110911298
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide
CID 30236258
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-(2-butan-2-ylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867733
1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 60544437
3-(4-fluorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 31997887
1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea
CID 47032719

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea (CID 38197539) is 1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea?
The InChIKey is JXVNNZBBVBUUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-11-22-16-6-4-3-5-15(16)20-17(21)19-12-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea?
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)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)methyl]-3-(2-propoxyphenyl)urea is sourced from PubChem (CID 38197539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).