1-(4-cyanophenyl)-3-(2-ethylphenyl)urea

C16H15N3O — CID 108991489

IUPAC1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H15N3O/c1-2-13-5-3-4-6-15(13)19-16(20)18-14-9-7-12(11-17)8-10-14/h3-10H,2H2,1H3,(H2,18,19,20)
InChIKeyIDICRZAYCGTQMP-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.76
Rot. Bonds3

About 1-(4-cyanophenyl)-3-(2-ethylphenyl)urea

1-(4-cyanophenyl)-3-(2-ethylphenyl)urea (PubChem CID 108991489) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
PubChem CID108991489
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H15N3O/c1-2-13-5-3-4-6-15(13)19-16(20)18-14-9-7-12(11-17)8-10-14/h3-10H,2H2,1H3,(H2,18,19,20)
InChIKeyIDICRZAYCGTQMP-UHFFFAOYSA-N
XLogP3.76
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-ethylphenyl)-3-(4-cyanophenyl)urea
CID 81288018
2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146
1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860121
1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea
CID 6422377
2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
CID 16784091
4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide
CID 17180735
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 3285930
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(2-ethylphenyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(2-ethylphenyl)urea (CID 108991489) is 1-(4-cyanophenyl)-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(2-ethylphenyl)urea?
The InChIKey is IDICRZAYCGTQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-13-5-3-4-6-15(13)19-16(20)18-14-9-7-12(11-17)8-10-14/h3-10H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-cyanophenyl)-3-(2-ethylphenyl)urea?
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea has a molecular weight of 265.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(2-ethylphenyl)urea is sourced from PubChem (CID 108991489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).