2-(1,1,2,2-tetrachloroethyl)benzamide

C9H7Cl4NO — CID 70168801

IUPAC2-(1,1,2,2-tetrachloroethyl)benzamide
SMILESNC(=O)c1ccccc1C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C9H7Cl4NO/c10-8(11)9(12,13)6-4-2-1-3-5(6)7(14)15/h1-4,8H,(H2,14,15)
InChIKeyKJNIXIQEKOMWKD-UHFFFAOYSA-N
MW286.97 g/mol
LogP3.22
Rot. Bonds3

About 2-(1,1,2,2-tetrachloroethyl)benzamide

2-(1,1,2,2-tetrachloroethyl)benzamide (PubChem CID 70168801) has the molecular formula C9H7Cl4NO and a molecular weight of 286.97 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrachloroethyl)benzamide.

Molecular Properties

Compound Name2-(1,1,2,2-tetrachloroethyl)benzamide
PubChem CID70168801
Molecular FormulaC9H7Cl4NO
Molecular Weight286.97 g/mol
Exact Mass284.93
IUPAC Name2-(1,1,2,2-tetrachloroethyl)benzamide
SMILESNC(=O)c1ccccc1C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C9H7Cl4NO/c10-8(11)9(12,13)6-4-2-1-3-5(6)7(14)15/h1-4,8H,(H2,14,15)
InChIKeyKJNIXIQEKOMWKD-UHFFFAOYSA-N
XLogP3.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.97
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloro hypochlorite;copper;2-(trifluoromethyl)benzamide
CID 159662780
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-[chloro(methoxy)methyl]benzamide
CID 68766878
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
benzene;2-hydroxybenzamide
CID 157085280
bis(1,1,2,2-tetrachloroethyl) benzene-1,2-dicarboxylate
CID 139714569
2-(chloroamino)benzamide
CID 54562633
2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 69461429
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
bis(2-aminobenzamide);platinum(2+)
CID 50912239
2-carbamoylbenzoate
CID 3373391

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrachloroethyl)benzamide?
The IUPAC name of 2-(1,1,2,2-tetrachloroethyl)benzamide (CID 70168801) is 2-(1,1,2,2-tetrachloroethyl)benzamide.
What is the SMILES notation for 2-(1,1,2,2-tetrachloroethyl)benzamide?
The canonical SMILES for 2-(1,1,2,2-tetrachloroethyl)benzamide is NC(=O)c1ccccc1C(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 2-(1,1,2,2-tetrachloroethyl)benzamide?
The InChIKey is KJNIXIQEKOMWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl4NO/c10-8(11)9(12,13)6-4-2-1-3-5(6)7(14)15/h1-4,8H,(H2,14,15).
What are the key properties of 2-(1,1,2,2-tetrachloroethyl)benzamide?
2-(1,1,2,2-tetrachloroethyl)benzamide has a molecular weight of 286.97 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrachloroethyl)benzamide is sourced from PubChem (CID 70168801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).