(benzhydrylamino)urea

C14H15N3O — CID 22235306

IUPAC(benzhydrylamino)urea
SMILESNC(=O)NNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N3O/c15-14(18)17-16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,16H,(H3,15,17,18)
InChIKeyFXELZGRXEDNEDF-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.95
Rot. Bonds4

About (benzhydrylamino)urea

(benzhydrylamino)urea (PubChem CID 22235306) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (benzhydrylamino)urea.

Molecular Properties

Compound Name(benzhydrylamino)urea
PubChem CID22235306
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(benzhydrylamino)urea
SMILESNC(=O)NNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N3O/c15-14(18)17-16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,16H,(H3,15,17,18)
InChIKeyFXELZGRXEDNEDF-UHFFFAOYSA-N
XLogP1.95
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (benzhydrylamino)urea?
The IUPAC name of (benzhydrylamino)urea (CID 22235306) is (benzhydrylamino)urea.
What is the SMILES notation for (benzhydrylamino)urea?
The canonical SMILES for (benzhydrylamino)urea is NC(=O)NNC(c1ccccc1)c1ccccc1.
What is the InChIKey of (benzhydrylamino)urea?
The InChIKey is FXELZGRXEDNEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)17-16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,16H,(H3,15,17,18).
What are the key properties of (benzhydrylamino)urea?
(benzhydrylamino)urea has a molecular weight of 241.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (benzhydrylamino)urea is sourced from PubChem (CID 22235306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).