2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide

C10H9Cl2NO2 — CID 159122733

IUPAC2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide
SMILES[2H]C([2H])(NC(=O)c1cc(Cl)ccc1Cl)C(C)=O
InChIInChI=1S/C10H9Cl2NO2/c1-6(14)5-13-10(15)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3,(H,13,15)/i5D2
InChIKeyPUZOVEUZWSUUFN-BFWBPSQCSA-N
MW248.11 g/mol
LogP2.31
Rot. Bonds3

About 2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide

2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide (PubChem CID 159122733) has the molecular formula C10H9Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide
PubChem CID159122733
Molecular FormulaC10H9Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.01
IUPAC Name2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide
SMILES[2H]C([2H])(NC(=O)c1cc(Cl)ccc1Cl)C(C)=O
InChIInChI=1S/C10H9Cl2NO2/c1-6(14)5-13-10(15)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3,(H,13,15)/i5D2
InChIKeyPUZOVEUZWSUUFN-BFWBPSQCSA-N
XLogP2.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
1-(2,5-dichlorophenyl)butane-1,3-dione
CID 43089597
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 108573425
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
ethyl 4-[(2,5-dichlorobenzoyl)amino]butanoate
CID 60637290

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide (CID 159122733) is 2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide is [2H]C([2H])(NC(=O)c1cc(Cl)ccc1Cl)C(C)=O.
What is the InChIKey of 2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide?
The InChIKey is PUZOVEUZWSUUFN-BFWBPSQCSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-6(14)5-13-10(15)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3,(H,13,15)/i5D2.
What are the key properties of 2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide?
2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide has a molecular weight of 248.11 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1,1-dideuterio-2-oxopropyl)benzamide is sourced from PubChem (CID 159122733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).