4-chloro-N-(2-chloroacetyl)benzamide

C9H7Cl2NO2 — CID 2405938

IUPAC4-chloro-N-(2-chloroacetyl)benzamide
SMILESO=C(CCl)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H7Cl2NO2/c10-5-8(13)12-9(14)6-1-3-7(11)4-2-6/h1-4H,5H2,(H,12,13,14)
InChIKeyMFPAFLUPDLDNJL-UHFFFAOYSA-N
MW232.07 g/mol
LogP1.84
Rot. Bonds2

About 4-chloro-N-(2-chloroacetyl)benzamide

4-chloro-N-(2-chloroacetyl)benzamide (PubChem CID 2405938) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is 4-chloro-N-(2-chloroacetyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloroacetyl)benzamide
PubChem CID2405938
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name4-chloro-N-(2-chloroacetyl)benzamide
SMILESO=C(CCl)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H7Cl2NO2/c10-5-8(13)12-9(14)6-1-3-7(11)4-2-6/h1-4H,5H2,(H,12,13,14)
InChIKeyMFPAFLUPDLDNJL-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloroacetyl)benzamide?
The IUPAC name of 4-chloro-N-(2-chloroacetyl)benzamide (CID 2405938) is 4-chloro-N-(2-chloroacetyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-chloroacetyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-chloroacetyl)benzamide is O=C(CCl)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-chloroacetyl)benzamide?
The InChIKey is MFPAFLUPDLDNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c10-5-8(13)12-9(14)6-1-3-7(11)4-2-6/h1-4H,5H2,(H,12,13,14).
What are the key properties of 4-chloro-N-(2-chloroacetyl)benzamide?
4-chloro-N-(2-chloroacetyl)benzamide has a molecular weight of 232.07 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloroacetyl)benzamide is sourced from PubChem (CID 2405938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).