1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea

C15H14BrClN2O3 — CID 2956360

IUPAC1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C15H14BrClN2O3/c1-21-10-4-6-14(22-2)13(8-10)19-15(20)18-9-3-5-11(16)12(17)7-9/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyPYXIKVMFQOHFAG-UHFFFAOYSA-N
MW385.65 g/mol
LogP4.76
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea

1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea (PubChem CID 2956360) has the molecular formula C15H14BrClN2O3 and a molecular weight of 385.65 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
PubChem CID2956360
Molecular FormulaC15H14BrClN2O3
Molecular Weight385.65 g/mol
Exact Mass383.99
IUPAC Name1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C15H14BrClN2O3/c1-21-10-4-6-14(22-2)13(8-10)19-15(20)18-9-3-5-11(16)12(17)7-9/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyPYXIKVMFQOHFAG-UHFFFAOYSA-N
XLogP4.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
CID 139743679
1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethoxyphenyl)urea
CID 17378931
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 2810421
dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
CID 1298005
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 170860315
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 17298469
1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17174383
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 35281376
1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
CID 17299431

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea (CID 2956360) is 1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)Nc2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is PYXIKVMFQOHFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O3/c1-21-10-4-6-14(22-2)13(8-10)19-15(20)18-9-3-5-11(16)12(17)7-9/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea?
1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 385.65 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 2956360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).