1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea

C14H10FN3O2 — CID 64780329

IUPAC1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc(O)c(F)c2)c1
InChIInChI=1S/C14H10FN3O2/c15-12-7-11(4-5-13(12)19)18-14(20)17-10-3-1-2-9(6-10)8-16/h1-7,19H,(H2,17,18,20)
InChIKeyZJGASLXCTUARFE-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.05
Rot. Bonds2

About 1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea

1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea (PubChem CID 64780329) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
PubChem CID64780329
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc(O)c(F)c2)c1
InChIInChI=1S/C14H10FN3O2/c15-12-7-11(4-5-13(12)19)18-14(20)17-10-3-1-2-9(6-10)8-16/h1-7,19H,(H2,17,18,20)
InChIKeyZJGASLXCTUARFE-UHFFFAOYSA-N
XLogP3.05
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
CID 64789061
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
1-(3-cyanophenyl)-3-(4-formylphenyl)urea
CID 106912787
1-(3-cyanophenyl)-3-(4-methylidenearsanylphenyl)urea
CID 161267287
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea?
The IUPAC name of 1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea (CID 64780329) is 1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea is N#Cc1cccc(NC(=O)Nc2ccc(O)c(F)c2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea?
The InChIKey is ZJGASLXCTUARFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-7-11(4-5-13(12)19)18-14(20)17-10-3-1-2-9(6-10)8-16/h1-7,19H,(H2,17,18,20).
What are the key properties of 1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea?
1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea has a molecular weight of 271.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea is sourced from PubChem (CID 64780329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).