1-(4-cyano-2-hydroxyphenyl)-3-phenylurea

C14H11N3O2 — CID 11184341

IUPAC1-(4-cyano-2-hydroxyphenyl)-3-phenylurea
SMILESN#Cc1ccc(NC(=O)Nc2ccccc2)c(O)c1
InChIInChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19)
InChIKeyXRZHCICQICNYCB-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.91
Rot. Bonds2

About 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea

1-(4-cyano-2-hydroxyphenyl)-3-phenylurea (PubChem CID 11184341) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-cyano-2-hydroxyphenyl)-3-phenylurea
PubChem CID11184341
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-(4-cyano-2-hydroxyphenyl)-3-phenylurea
SMILESN#Cc1ccc(NC(=O)Nc2ccccc2)c(O)c1
InChIInChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19)
InChIKeyXRZHCICQICNYCB-UHFFFAOYSA-N
XLogP2.91
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

NS-1643
CID 10177784
1-(2-Bromophenyl)-3-(4-cyano-2-hydroxyphenyl)urea
CID 9949456
1-(3-Cyano-2-hydroxyphenyl)-3-phenylurea
CID 44439692
1-(3-Bromo-4-cyano-2-hydroxyphenyl)-3-(2-bromophenyl)urea
CID 9953415
N-(2-Hydroxy-4-methylphenyl)acetamide
CID 83437
4-(3,4-Dioxo-2-(phenylamino)cyclobut-1-enylamino)-3-hydroxybenzonitrile
CID 9879541
(E)-N-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-enamide
CID 71559653
N-[4-(4-acetamido-3-hydroxyphenyl)-2-hydroxyphenyl]acetamide
CID 237780
Urea, 1-benzyl-3-(o-hydroxyphenyl)-
CID 200762
Urea derivative, 14
CID 57339943
N,N'-[methylenebis(2-hydroxy-4,1-phenylene)]bis(2-methylpropanamide)
CID 2203693
4-Acetamido-3-hydroxybiphenyl
CID 3014728

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea?
The IUPAC name of 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea (CID 11184341) is 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea.
What is the SMILES notation for 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea?
The canonical SMILES for 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea is N#Cc1ccc(NC(=O)Nc2ccccc2)c(O)c1.
What is the InChIKey of 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea?
The InChIKey is XRZHCICQICNYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19).
What are the key properties of 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea?
1-(4-cyano-2-hydroxyphenyl)-3-phenylurea has a molecular weight of 253.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea is sourced from PubChem (CID 11184341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).