(2-cyanophenyl)urea

C8H7N3O — CID 13155570

IUPAC(2-cyanophenyl)urea
SMILESN#Cc1ccccc1NC(N)=O
InChIInChI=1S/C8H7N3O/c9-5-6-3-1-2-4-7(6)11-8(10)12/h1-4H,(H3,10,11,12)
InChIKeyQUAYEHVOVRZTOO-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.05
Rot. Bonds1

About (2-cyanophenyl)urea

(2-cyanophenyl)urea (PubChem CID 13155570) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is (2-cyanophenyl)urea.

Molecular Properties

Compound Name(2-cyanophenyl)urea
PubChem CID13155570
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name(2-cyanophenyl)urea
SMILESN#Cc1ccccc1NC(N)=O
InChIInChI=1S/C8H7N3O/c9-5-6-3-1-2-4-7(6)11-8(10)12/h1-4H,(H3,10,11,12)
InChIKeyQUAYEHVOVRZTOO-UHFFFAOYSA-N
XLogP1.05
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-cyanophenyl)sulfanylphenyl]urea
CID 18663341
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296
N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
CID 108501638
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
2-(2-cyanoanilino)ethylurea
CID 83111551
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
(4-bromo-2-cyanophenyl)urea
CID 82708837
1-(2-cyanophenyl)-3-(2-iodophenyl)urea
CID 108868891
2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
CID 16781296
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
2-[(2-cyanophenyl)carbamoylamino]benzoic acid
CID 61189461

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)urea?
The IUPAC name of (2-cyanophenyl)urea (CID 13155570) is (2-cyanophenyl)urea.
What is the SMILES notation for (2-cyanophenyl)urea?
The canonical SMILES for (2-cyanophenyl)urea is N#Cc1ccccc1NC(N)=O.
What is the InChIKey of (2-cyanophenyl)urea?
The InChIKey is QUAYEHVOVRZTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-5-6-3-1-2-4-7(6)11-8(10)12/h1-4H,(H3,10,11,12).
What are the key properties of (2-cyanophenyl)urea?
(2-cyanophenyl)urea has a molecular weight of 161.16 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)urea is sourced from PubChem (CID 13155570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).