1-(2-cyanophenyl)-3-(2-phenylphenyl)urea

C20H15N3O — CID 102229386

IUPAC1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
SMILESN#Cc1ccccc1NC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H15N3O/c21-14-16-10-4-6-12-18(16)22-20(24)23-19-13-7-5-11-17(19)15-8-2-1-3-9-15/h1-13H,(H2,22,23,24)
InChIKeyBTYSCHRLULLVDA-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.87
Rot. Bonds3

About 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea

1-(2-cyanophenyl)-3-(2-phenylphenyl)urea (PubChem CID 102229386) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
PubChem CID102229386
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
SMILESN#Cc1ccccc1NC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H15N3O/c21-14-16-10-4-6-12-18(16)22-20(24)23-19-13-7-5-11-17(19)15-8-2-1-3-9-15/h1-13H,(H2,22,23,24)
InChIKeyBTYSCHRLULLVDA-UHFFFAOYSA-N
XLogP4.87
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyanophenyl)carbamoylamino]benzoic acid
CID 61189461
1-(2-cyanophenyl)-3-(2-iodophenyl)urea
CID 108868891
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
2-[(2-cyanophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61229493
(2-cyanophenyl)urea
CID 13155570
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875
N-(2-cyanophenyl)-3-phenylprop-2-ynamide
CID 6465612
2-phenylbenzonitrile;urea
CID 162064762
4-[(2-cyanophenyl)carbamoylamino]benzoate
CID 7057070
1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea
CID 57474704
1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811788

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea?
The IUPAC name of 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea (CID 102229386) is 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea is N#Cc1ccccc1NC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea?
The InChIKey is BTYSCHRLULLVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-14-16-10-4-6-12-18(16)22-20(24)23-19-13-7-5-11-17(19)15-8-2-1-3-9-15/h1-13H,(H2,22,23,24).
What are the key properties of 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea?
1-(2-cyanophenyl)-3-(2-phenylphenyl)urea has a molecular weight of 313.36 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-3-(2-phenylphenyl)urea is sourced from PubChem (CID 102229386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).