1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea

C19H17FN2O2 — CID 108901146

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea
SMILESO=C(NCCc1cccc(F)c1)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H17FN2O2/c20-14-5-1-4-13(12-14)10-11-21-19(24)22-17-8-2-7-16-15(17)6-3-9-18(16)23/h1-9,12,23H,10-11H2,(H2,21,22,24)
InChIKeyHYVBNQQEZXMONR-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.05
Rot. Bonds4

About 1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea

1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea (PubChem CID 108901146) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea
PubChem CID108901146
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea
SMILESO=C(NCCc1cccc(F)c1)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H17FN2O2/c20-14-5-1-4-13(12-14)10-11-21-19(24)22-17-8-2-7-16-15(17)6-3-9-18(16)23/h1-9,12,23H,10-11H2,(H2,21,22,24)
InChIKeyHYVBNQQEZXMONR-UHFFFAOYSA-N
XLogP4.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 11573369
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
CID 108901812
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
1-(1,3-benzodioxol-5-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290583
1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108901185

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea (CID 108901146) is 1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea is O=C(NCCc1cccc(F)c1)Nc1cccc2c(O)cccc12.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea?
The InChIKey is HYVBNQQEZXMONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-14-5-1-4-13(12-14)10-11-21-19(24)22-17-8-2-7-16-15(17)6-3-9-18(16)23/h1-9,12,23H,10-11H2,(H2,21,22,24).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea?
1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea has a molecular weight of 324.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 108901146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).