N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide

C12H10Cl5NO2 — CID 1067754

IUPACN-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](CC(=O)c1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C12H10Cl5NO2/c1-6(19)18-11(12(15,16)17)5-10(20)8-3-2-7(13)4-9(8)14/h2-4,11H,5H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyWJTLHDXSWHHQMX-LLVKDONJSA-N
MW377.48 g/mol
LogP4.44
Rot. Bonds4

About N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide

N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide (PubChem CID 1067754) has the molecular formula C12H10Cl5NO2 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide
PubChem CID1067754
Molecular FormulaC12H10Cl5NO2
Molecular Weight377.48 g/mol
Exact Mass374.92
IUPAC NameN-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](CC(=O)c1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C12H10Cl5NO2/c1-6(19)18-11(12(15,16)17)5-10(20)8-3-2-7(13)4-9(8)14/h2-4,11H,5H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyWJTLHDXSWHHQMX-LLVKDONJSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide 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

(3R)-3-amino-4,4,4-trichloro-1-(2,4-dichlorophenyl)butan-1-one
CID 796782
1-(2,4-dichlorophenyl)-3-methylhexan-1-one
CID 114968710
2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone
CID 82101529
1-(2,4-dichlorophenyl)-4-methylpent-4-en-1-one
CID 115802801
N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
CID 67575764
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
methyl 6-(2,4-dichlorophenyl)-6-oxohexanoate
CID 146009606

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide (CID 1067754) is N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide is CC(=O)N[C@H](CC(=O)c1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl.
What is the InChIKey of N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide?
The InChIKey is WJTLHDXSWHHQMX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H10Cl5NO2/c1-6(19)18-11(12(15,16)17)5-10(20)8-3-2-7(13)4-9(8)14/h2-4,11H,5H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide?
N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide has a molecular weight of 377.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1,1-trichloro-4-(2,4-dichlorophenyl)-4-oxobutan-2-yl]acetamide is sourced from PubChem (CID 1067754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).