2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid

C16H19Cl2NO3 — CID 166254759

IUPAC2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)NC1CC(CC(=O)O)C1
InChIInChI=1S/C16H19Cl2NO3/c1-9(4-11-2-3-12(17)8-14(11)18)16(22)19-13-5-10(6-13)7-15(20)21/h2-3,8-10,13H,4-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyQCZAXGBVNFGQHQ-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.54
Rot. Bonds6

About 2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid

2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid (PubChem CID 166254759) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid
PubChem CID166254759
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Name2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)NC1CC(CC(=O)O)C1
InChIInChI=1S/C16H19Cl2NO3/c1-9(4-11-2-3-12(17)8-14(11)18)16(22)19-13-5-10(6-13)7-15(20)21/h2-3,8-10,13H,4-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyQCZAXGBVNFGQHQ-UHFFFAOYSA-N
XLogP3.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 86970189
3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
CID 119503882
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
N-(2-amino-2-methylpropyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119630154
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119529441
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
CID 142918333
4-[[1-(2,4-dichlorophenyl)-4-methylpentan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 122031256
3-[3-[[2-(2,4-dichlorophenyl)-2-hydroxyacetyl]amino]cyclobutyl]propanoic acid
CID 146149943

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid (CID 166254759) is 2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid is CC(Cc1ccc(Cl)cc1Cl)C(=O)NC1CC(CC(=O)O)C1.
What is the InChIKey of 2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid?
The InChIKey is QCZAXGBVNFGQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c1-9(4-11-2-3-12(17)8-14(11)18)16(22)19-13-5-10(6-13)7-15(20)21/h2-3,8-10,13H,4-7H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid?
2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid has a molecular weight of 344.24 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 166254759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).