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

C15H14BrClN2O2 — CID 52594310

IUPAC1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H14BrClN2O2/c1-21-12-4-2-3-10(7-12)9-18-15(20)19-14-6-5-11(16)8-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyAFOKJRUFHFTCKO-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.43
Rot. Bonds4

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

1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 52594310) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
PubChem CID52594310
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H14BrClN2O2/c1-21-12-4-2-3-10(7-12)9-18-15(20)19-14-6-5-11(16)8-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyAFOKJRUFHFTCKO-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-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898437
1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898402
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
N-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62909620
1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea
CID 51046185
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea (CID 52594310) is 1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)Nc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is AFOKJRUFHFTCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-21-12-4-2-3-10(7-12)9-18-15(20)19-14-6-5-11(16)8-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea?
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)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-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 52594310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).