1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid

C15H18BrNO4 — CID 43239141

IUPAC1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(COc1ccc(Br)cc1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H18BrNO4/c16-11-4-6-12(7-5-11)21-10-13(18)17-15(14(19)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,17,18)(H,19,20)
InChIKeyNSCDOUZUPHBOET-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.73
Rot. Bonds5

About 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43239141) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43239141
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(COc1ccc(Br)cc1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H18BrNO4/c16-11-4-6-12(7-5-11)21-10-13(18)17-15(14(19)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,17,18)(H,19,20)
InChIKeyNSCDOUZUPHBOET-UHFFFAOYSA-N
XLogP2.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid 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

1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43169472
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
1-[[2-(2,4-dibromophenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158229
1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120515100
2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701234
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453669
1-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119113831
1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78903343
N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
CID 61118930

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid (CID 43239141) is 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(COc1ccc(Br)cc1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NSCDOUZUPHBOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c16-11-4-6-12(7-5-11)21-10-13(18)17-15(14(19)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 356.22 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43239141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).