1-[(2-bromophenyl)methyl]-3-phenylurea

C14H13BrN2O — CID 60970336

IUPAC1-[(2-bromophenyl)methyl]-3-phenylurea
SMILESO=C(NCc1ccccc1Br)Nc1ccccc1
InChIInChI=1S/C14H13BrN2O/c15-13-9-5-4-6-11(13)10-16-14(18)17-12-7-2-1-3-8-12/h1-9H,10H2,(H2,16,17,18)
InChIKeyUDCDXAUFDCAGOP-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.77
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-3-phenylurea

1-[(2-bromophenyl)methyl]-3-phenylurea (PubChem CID 60970336) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-phenylurea
PubChem CID60970336
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name1-[(2-bromophenyl)methyl]-3-phenylurea
SMILESO=C(NCc1ccccc1Br)Nc1ccccc1
InChIInChI=1S/C14H13BrN2O/c15-13-9-5-4-6-11(13)10-16-14(18)17-12-7-2-1-3-8-12/h1-9H,10H2,(H2,16,17,18)
InChIKeyUDCDXAUFDCAGOP-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-phenylurea (CID 60970336) is 1-[(2-bromophenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-phenylurea is O=C(NCc1ccccc1Br)Nc1ccccc1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-phenylurea?
The InChIKey is UDCDXAUFDCAGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-13-9-5-4-6-11(13)10-16-14(18)17-12-7-2-1-3-8-12/h1-9H,10H2,(H2,16,17,18).
What are the key properties of 1-[(2-bromophenyl)methyl]-3-phenylurea?
1-[(2-bromophenyl)methyl]-3-phenylurea has a molecular weight of 305.18 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-phenylurea is sourced from PubChem (CID 60970336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).