1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea

C15H14BrClN2O2 — CID 60545784

IUPAC1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
SMILESCOc1ccc(Br)cc1NC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClN2O2/c1-21-14-7-4-11(16)8-13(14)19-15(20)18-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeySBCUJGAHOBMENH-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.43
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea

1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea (PubChem CID 60545784) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
PubChem CID60545784
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
SMILESCOc1ccc(Br)cc1NC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClN2O2/c1-21-14-7-4-11(16)8-13(14)19-15(20)18-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeySBCUJGAHOBMENH-UHFFFAOYSA-N
XLogP4.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
1-[(4-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108899563
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea
CID 2211517
1-(5-chloro-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]thiourea
CID 17297940
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 3669367
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 35276225
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea (CID 60545784) is 1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea is COc1ccc(Br)cc1NC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea?
The InChIKey is SBCUJGAHOBMENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-21-14-7-4-11(16)8-13(14)19-15(20)18-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea?
1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea has a molecular weight of 369.65 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea is sourced from PubChem (CID 60545784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).