3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea

C12H16Br2N2O2 — CID 103412392

IUPAC3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2/c1-4-16(5-2)12(17)15-10-7-11(18-3)9(14)6-8(10)13/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyBKCUECFJKQVBLQ-UHFFFAOYSA-N
MW380.08 g/mol
LogP4.09
Rot. Bonds4

About 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea

3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea (PubChem CID 103412392) has the molecular formula C12H16Br2N2O2 and a molecular weight of 380.08 g/mol. Its IUPAC name is 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea
PubChem CID103412392
Molecular FormulaC12H16Br2N2O2
Molecular Weight380.08 g/mol
Exact Mass377.96
IUPAC Name3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2/c1-4-16(5-2)12(17)15-10-7-11(18-3)9(14)6-8(10)13/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyBKCUECFJKQVBLQ-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-2-methoxyphenyl)-1,1-diethylurea
CID 60562444
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
3-(2-bromo-5-chloro-4-methylphenyl)-1,1-diethylurea
CID 104724253
3-(4,5-dimethoxy-2-nitrophenyl)-1,1-diethylurea
CID 110445111
N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide
CID 103414030
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503
(2S)-2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 103416237
1,1-diethyl-3-[2-hydroxy-4-(2-hydroxyethylamino)-5-methoxyphenyl]urea
CID 18006592
2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]-2-methylbutanoic acid
CID 103416271
3-(2-bromo-4,5-dimethoxyphenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47376181
1-(2,4-dibromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 103412409
2-[[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]methyl]butanoic acid
CID 103416262

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea?
The IUPAC name of 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea (CID 103412392) is 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea.
What is the SMILES notation for 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea?
The canonical SMILES for 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea is CCN(CC)C(=O)Nc1cc(OC)c(Br)cc1Br.
What is the InChIKey of 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea?
The InChIKey is BKCUECFJKQVBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2/c1-4-16(5-2)12(17)15-10-7-11(18-3)9(14)6-8(10)13/h6-7H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea?
3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea has a molecular weight of 380.08 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea is sourced from PubChem (CID 103412392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).