1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea

C15H19BrClN3O3 — CID 4981145

IUPAC1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
SMILESO=C(COc1ccc(Br)cc1Cl)NNC(=O)NC1CCCCC1
InChIInChI=1S/C15H19BrClN3O3/c16-10-6-7-13(12(17)8-10)23-9-14(21)19-20-15(22)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,19,21)(H2,18,20,22)
InChIKeyLKECZTUDZNNTJJ-UHFFFAOYSA-N
MW404.69 g/mol
LogP3.14
Rot. Bonds4

About 1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea

1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea (PubChem CID 4981145) has the molecular formula C15H19BrClN3O3 and a molecular weight of 404.69 g/mol. Its IUPAC name is 1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
PubChem CID4981145
Molecular FormulaC15H19BrClN3O3
Molecular Weight404.69 g/mol
Exact Mass403.03
IUPAC Name1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
SMILESO=C(COc1ccc(Br)cc1Cl)NNC(=O)NC1CCCCC1
InChIInChI=1S/C15H19BrClN3O3/c16-10-6-7-13(12(17)8-10)23-9-14(21)19-20-15(22)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,19,21)(H2,18,20,22)
InChIKeyLKECZTUDZNNTJJ-UHFFFAOYSA-N
XLogP3.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid
CID 4632414
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520939
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 4511223
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea?
The IUPAC name of 1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea (CID 4981145) is 1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea.
What is the SMILES notation for 1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea?
The canonical SMILES for 1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea is O=C(COc1ccc(Br)cc1Cl)NNC(=O)NC1CCCCC1.
What is the InChIKey of 1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea?
The InChIKey is LKECZTUDZNNTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O3/c16-10-6-7-13(12(17)8-10)23-9-14(21)19-20-15(22)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea?
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea has a molecular weight of 404.69 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea is sourced from PubChem (CID 4981145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).