1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea

C15H14BrClN2O — CID 17379763

IUPAC1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)NCc1ccccc1Br
InChIInChI=1S/C15H14BrClN2O/c1-10-6-7-12(17)8-14(10)19-15(20)18-9-11-4-2-3-5-13(11)16/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyAYOAUYCLIRUUJH-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.73
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea

1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea (PubChem CID 17379763) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea
PubChem CID17379763
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)NCc1ccccc1Br
InChIInChI=1S/C15H14BrClN2O/c1-10-6-7-12(17)8-14(10)19-15(20)18-9-11-4-2-3-5-13(11)16/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyAYOAUYCLIRUUJH-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.73
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-(5-chloro-2-methylphenyl)urea?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea (CID 17379763) is 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea is Cc1ccc(Cl)cc1NC(=O)NCc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea?
The InChIKey is AYOAUYCLIRUUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10-6-7-12(17)8-14(10)19-15(20)18-9-11-4-2-3-5-13(11)16/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea?
1-[(2-bromophenyl)methyl]-3-(5-chloro-2-methylphenyl)urea has a molecular weight of 353.65 g/mol, XLogP of 4.73, 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-(5-chloro-2-methylphenyl)urea is sourced from PubChem (CID 17379763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).