1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea

C17H13FN2O2 — CID 54583542

IUPAC1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C17H13FN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)
InChIKeyGZFMFMWSIJNSNG-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.33
Rot. Bonds2

About 1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea

1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 54583542) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID54583542
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C17H13FN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)
InChIKeyGZFMFMWSIJNSNG-UHFFFAOYSA-N
XLogP4.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetamido-7-naphthol
CID 80946
N-(7-hydroxy-1-naphthyl)-N'-[3-(methylthio)phenyl]urea
CID 3684843
N-(5-Hydroxy-1-naphthalenyl)-N'-phenylurea
CID 4432275
Diarylurea deriv. 1a
CID 5330587
1-(4-Fluoro-3-nitrophenyl)-3-(5-hydroxy-1-naphthyl)urea
CID 3576484
1-Benzyl-3-(7-hydroxynaphthalen-1-yl)urea
CID 5330591
3-(5-Chloro-2-methylphenyl)-1-(7-hydroxynaphthalen-1-yl)urea
CID 307545
1-(7-Hydroxy-naphthalen-1-yl)-3-(4-trifluoromethyl-benzyl)-urea
CID 10089889
1-(7-Hydroxy-naphthalen-1-yl)-3-(4-trifluoromethoxy-benzyl)-urea
CID 10090920
[4-(Naphthalen-1-ylcarbamoylamino)phenyl] sulfamate
CID 70692551
1-[[2-[4-Benzyl-4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]-3-(7-hydroxynaphthalen-1-yl)urea
CID 155535201
1-(7-Hydroxynaphthalen-1-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 310417

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea (CID 54583542) is 1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea is O=C(Nc1cccc(F)c1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is GZFMFMWSIJNSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22).
What are the key properties of 1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea?
1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 296.30 g/mol, XLogP of 4.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 54583542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).