[(2-bromophenyl)-phenylmethyl]urea

C14H13BrN2O — CID 2853590

IUPAC[(2-bromophenyl)-phenylmethyl]urea
SMILESNC(=O)NC(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H13BrN2O/c15-12-9-5-4-8-11(12)13(17-14(16)18)10-6-2-1-3-7-10/h1-9,13H,(H3,16,17,18)
InChIKeyQDJBQPCSNUHGFA-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.21
Rot. Bonds3

About [(2-bromophenyl)-phenylmethyl]urea

[(2-bromophenyl)-phenylmethyl]urea (PubChem CID 2853590) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is [(2-bromophenyl)-phenylmethyl]urea.

Molecular Properties

Compound Name[(2-bromophenyl)-phenylmethyl]urea
PubChem CID2853590
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name[(2-bromophenyl)-phenylmethyl]urea
SMILESNC(=O)NC(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H13BrN2O/c15-12-9-5-4-8-11(12)13(17-14(16)18)10-6-2-1-3-7-10/h1-9,13H,(H3,16,17,18)
InChIKeyQDJBQPCSNUHGFA-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2-bromophenyl)-phenylmethyl]urea?
The IUPAC name of [(2-bromophenyl)-phenylmethyl]urea (CID 2853590) is [(2-bromophenyl)-phenylmethyl]urea.
What is the SMILES notation for [(2-bromophenyl)-phenylmethyl]urea?
The canonical SMILES for [(2-bromophenyl)-phenylmethyl]urea is NC(=O)NC(c1ccccc1)c1ccccc1Br.
What is the InChIKey of [(2-bromophenyl)-phenylmethyl]urea?
The InChIKey is QDJBQPCSNUHGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-12-9-5-4-8-11(12)13(17-14(16)18)10-6-2-1-3-7-10/h1-9,13H,(H3,16,17,18).
What are the key properties of [(2-bromophenyl)-phenylmethyl]urea?
[(2-bromophenyl)-phenylmethyl]urea has a molecular weight of 305.18 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromophenyl)-phenylmethyl]urea is sourced from PubChem (CID 2853590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).