3-(2-cyanophenyl)-1,1-diphenylurea

C20H15N3O — CID 3830875

IUPAC3-(2-cyanophenyl)-1,1-diphenylurea
SMILESN#Cc1ccccc1NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15N3O/c21-15-16-9-7-8-14-19(16)22-20(24)23(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,(H,22,24)
InChIKeyFULJVPQLZKLXGC-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.93
Rot. Bonds3

About 3-(2-cyanophenyl)-1,1-diphenylurea

3-(2-cyanophenyl)-1,1-diphenylurea (PubChem CID 3830875) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(2-cyanophenyl)-1,1-diphenylurea.

Molecular Properties

Compound Name3-(2-cyanophenyl)-1,1-diphenylurea
PubChem CID3830875
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-(2-cyanophenyl)-1,1-diphenylurea
SMILESN#Cc1ccccc1NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15N3O/c21-15-16-9-7-8-14-19(16)22-20(24)23(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,(H,22,24)
InChIKeyFULJVPQLZKLXGC-UHFFFAOYSA-N
XLogP4.93
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyanophenyl)urea
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1-(2-cyanophenyl)-3-(2-iodophenyl)urea
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1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea
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4-[(2-cyanophenyl)carbamoyl-methylamino]butanoic acid
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N-(2-cyanophenyl)-3-phenylprop-2-ynamide
CID 6465612
3-[(2-cyanophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62851934
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenyl)-1,1-diphenylurea?
The IUPAC name of 3-(2-cyanophenyl)-1,1-diphenylurea (CID 3830875) is 3-(2-cyanophenyl)-1,1-diphenylurea.
What is the SMILES notation for 3-(2-cyanophenyl)-1,1-diphenylurea?
The canonical SMILES for 3-(2-cyanophenyl)-1,1-diphenylurea is N#Cc1ccccc1NC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-cyanophenyl)-1,1-diphenylurea?
The InChIKey is FULJVPQLZKLXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-15-16-9-7-8-14-19(16)22-20(24)23(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,(H,22,24).
What are the key properties of 3-(2-cyanophenyl)-1,1-diphenylurea?
3-(2-cyanophenyl)-1,1-diphenylurea has a molecular weight of 313.36 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenyl)-1,1-diphenylurea is sourced from PubChem (CID 3830875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).