1-benzyl-3-(2-chlorophenyl)urea

C14H13ClN2O — CID 5129458

IUPAC1-benzyl-3-(2-chlorophenyl)urea
SMILESO=C(NCc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C14H13ClN2O/c15-12-8-4-5-9-13(12)17-14(18)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18)
InChIKeyULVQICRGVOWPPD-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.66
Rot. Bonds3

About 1-benzyl-3-(2-chlorophenyl)urea

1-benzyl-3-(2-chlorophenyl)urea (PubChem CID 5129458) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-benzyl-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-chlorophenyl)urea
PubChem CID5129458
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name1-benzyl-3-(2-chlorophenyl)urea
SMILESO=C(NCc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C14H13ClN2O/c15-12-8-4-5-9-13(12)17-14(18)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18)
InChIKeyULVQICRGVOWPPD-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-chlorophenyl)urea?
The IUPAC name of 1-benzyl-3-(2-chlorophenyl)urea (CID 5129458) is 1-benzyl-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-benzyl-3-(2-chlorophenyl)urea is O=C(NCc1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of 1-benzyl-3-(2-chlorophenyl)urea?
The InChIKey is ULVQICRGVOWPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-8-4-5-9-13(12)17-14(18)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18).
What are the key properties of 1-benzyl-3-(2-chlorophenyl)urea?
1-benzyl-3-(2-chlorophenyl)urea has a molecular weight of 260.72 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-chlorophenyl)urea is sourced from PubChem (CID 5129458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).