3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid

C13H13BrClNO3 — CID 146133148

IUPAC3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccc(Br)c(Cl)c1)NC1CC(C(=O)O)C1
InChIInChI=1S/C13H13BrClNO3/c14-10-2-1-7(3-11(10)15)4-12(17)16-9-5-8(6-9)13(18)19/h1-3,8-9H,4-6H2,(H,16,17)(H,18,19)
InChIKeyIZNKTDFPQCUPIX-UHFFFAOYSA-N
MW346.61 g/mol
LogP2.62
Rot. Bonds4

About 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid

3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 146133148) has the molecular formula C13H13BrClNO3 and a molecular weight of 346.61 g/mol. Its IUPAC name is 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID146133148
Molecular FormulaC13H13BrClNO3
Molecular Weight346.61 g/mol
Exact Mass344.98
IUPAC Name3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccc(Br)c(Cl)c1)NC1CC(C(=O)O)C1
InChIInChI=1S/C13H13BrClNO3/c14-10-2-1-7(3-11(10)15)4-12(17)16-9-5-8(6-9)13(18)19/h1-3,8-9H,4-6H2,(H,16,17)(H,18,19)
InChIKeyIZNKTDFPQCUPIX-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-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

2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide
CID 103581537
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
3-[3-(3-chloro-4-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032315
cis-(1S,3R)-3-[3-(4-bromo-3-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676009
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
4-[4-(3,4-dichlorophenyl)butanoylamino]cyclohexane-1-carboxylic acid
CID 119229226
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527
cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320641
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359
3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid
CID 83745272
4-(4-bromo-3-chlorophenyl)cyclohexane-1-carboxylic acid
CID 164528346
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 146133148) is 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(Cc1ccc(Br)c(Cl)c1)NC1CC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is IZNKTDFPQCUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO3/c14-10-2-1-7(3-11(10)15)4-12(17)16-9-5-8(6-9)13(18)19/h1-3,8-9H,4-6H2,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid?
3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 346.61 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 146133148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).