3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide

C15H12Cl2INO — CID 103221331

IUPAC3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide
SMILESCC(NC(=O)c1ccc(I)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2INO/c1-9(10-2-5-12(16)6-3-10)19-15(20)11-4-7-14(18)13(17)8-11/h2-9H,1H3,(H,19,20)
InChIKeyRLBNBHQLGDSAEC-UHFFFAOYSA-N
MW420.08 g/mol
LogP5.09
Rot. Bonds3

About 3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide

3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide (PubChem CID 103221331) has the molecular formula C15H12Cl2INO and a molecular weight of 420.08 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide
PubChem CID103221331
Molecular FormulaC15H12Cl2INO
Molecular Weight420.08 g/mol
Exact Mass418.93
IUPAC Name3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide
SMILESCC(NC(=O)c1ccc(I)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2INO/c1-9(10-2-5-12(16)6-3-10)19-15(20)11-4-7-14(18)13(17)8-11/h2-9H,1H3,(H,19,20)
InChIKeyRLBNBHQLGDSAEC-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.08
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 90876175
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide (CID 103221331) is 3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide is CC(NC(=O)c1ccc(I)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide?
The InChIKey is RLBNBHQLGDSAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2INO/c1-9(10-2-5-12(16)6-3-10)19-15(20)11-4-7-14(18)13(17)8-11/h2-9H,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide?
3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide has a molecular weight of 420.08 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide is sourced from PubChem (CID 103221331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).