1,1-diphenylurea

C26H24N4O2 — CID 174849888

IUPAC1,1-diphenylurea
SMILESNC(=O)N(c1ccccc1)c1ccccc1.NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/2C13H12N2O/c2*14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2*1-10H,(H2,14,16)
InChIKeyBRAMQJCATURHEZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.81
Rot. Bonds4

About 1,1-diphenylurea

1,1-diphenylurea (PubChem CID 174849888) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1,1-diphenylurea.

Molecular Properties

Compound Name1,1-diphenylurea
PubChem CID174849888
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name1,1-diphenylurea
SMILESNC(=O)N(c1ccccc1)c1ccccc1.NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/2C13H12N2O/c2*14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2*1-10H,(H2,14,16)
InChIKeyBRAMQJCATURHEZ-UHFFFAOYSA-N
XLogP5.81
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butane;1,1-diphenylurea
CID 70397101
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
1-(4-formylphenyl)-1-phenylurea
CID 57262410
1-[4-(2-oxoethyl)phenyl]-1-phenylurea
CID 91426853
2-(N-carbamoylanilino)benzamide
CID 68726010
1-(2-fluorophenyl)-1-phenylurea
CID 150840267
cobalt;bis(diphenylcarbamic acid)
CID 155679078
1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea
CID 68813926
(2Z)-2-amino-2-hydroxyimino-N,N-diphenylacetamide
CID 53275051
1,1-bis(4-bromophenyl)urea;hydrochloride
CID 172731667
[4-[4-(benzenesulfonyloxy)-N-carbamoylanilino]phenyl] benzenesulfonate
CID 170165619
N',N'-diphenyldodecanediamide
CID 70400318

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylurea?
The IUPAC name of 1,1-diphenylurea (CID 174849888) is 1,1-diphenylurea.
What is the SMILES notation for 1,1-diphenylurea?
The canonical SMILES for 1,1-diphenylurea is NC(=O)N(c1ccccc1)c1ccccc1.NC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylurea?
The InChIKey is BRAMQJCATURHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12N2O/c2*14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2*1-10H,(H2,14,16).
What are the key properties of 1,1-diphenylurea?
1,1-diphenylurea has a molecular weight of 424.50 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylurea is sourced from PubChem (CID 174849888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).