4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide

C15H11Cl2NO2 — CID 732479

IUPAC4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO2/c16-12-5-1-10(2-6-12)14(19)9-18-15(20)11-3-7-13(17)8-4-11/h1-8H,9H2,(H,18,20)
InChIKeyKRWXNCATVIUAPB-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.61
Rot. Bonds4

About 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide

4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide (PubChem CID 732479) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide
PubChem CID732479
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO2/c16-12-5-1-10(2-6-12)14(19)9-18-15(20)11-3-7-13(17)8-4-11/h1-8H,9H2,(H,18,20)
InChIKeyKRWXNCATVIUAPB-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide (CID 732479) is 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide?
The InChIKey is KRWXNCATVIUAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-12-5-1-10(2-6-12)14(19)9-18-15(20)11-3-7-13(17)8-4-11/h1-8H,9H2,(H,18,20).
What are the key properties of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide?
4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide has a molecular weight of 308.16 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 732479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).