3,5-dichloro-4-iodobenzamide

C7H4Cl2INO — CID 50849721

IUPAC3,5-dichloro-4-iodobenzamide
SMILESNC(=O)c1cc(Cl)c(I)c(Cl)c1
InChIInChI=1S/C7H4Cl2INO/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H2,11,12)
InChIKeyPPQCSLAMJFEELY-UHFFFAOYSA-N
MW315.93 g/mol
LogP2.70
Rot. Bonds1

About 3,5-dichloro-4-iodobenzamide

3,5-dichloro-4-iodobenzamide (PubChem CID 50849721) has the molecular formula C7H4Cl2INO and a molecular weight of 315.93 g/mol. Its IUPAC name is 3,5-dichloro-4-iodobenzamide.

Molecular Properties

Compound Name3,5-dichloro-4-iodobenzamide
PubChem CID50849721
Molecular FormulaC7H4Cl2INO
Molecular Weight315.93 g/mol
Exact Mass314.87
IUPAC Name3,5-dichloro-4-iodobenzamide
SMILESNC(=O)c1cc(Cl)c(I)c(Cl)c1
InChIInChI=1S/C7H4Cl2INO/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H2,11,12)
InChIKeyPPQCSLAMJFEELY-UHFFFAOYSA-N
XLogP2.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.93
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-hydroxy-5-iodobenzamide
CID 101017736
3-chloro-4-iodobenzamide
CID 94675118
3,4-dichloro-5-methylbenzamide
CID 121228378
3,5-dichloro-4-nitrobenzamide
CID 121228420
3-bromo-5-chloro-4-fluorobenzamide
CID 131622385
4-bromo-3-chloro-5-fluorobenzamide
CID 130977761
3-chloro-4-hydroxybenzamide
CID 22932347
3-chloro-4-methylbenzamide;ethane
CID 162191867
4-[3-(aminomethyl)pyrrolidin-1-yl]-3-chlorobenzamide
CID 63092289
3-bromo-5-chlorobenzamide
CID 53417471
4-(2-aminoethylamino)-3-chlorobenzamide
CID 63092115
3-chloro-4-(3,5-dimethylpiperazin-1-yl)benzamide
CID 63873145

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-iodobenzamide?
The IUPAC name of 3,5-dichloro-4-iodobenzamide (CID 50849721) is 3,5-dichloro-4-iodobenzamide.
What is the SMILES notation for 3,5-dichloro-4-iodobenzamide?
The canonical SMILES for 3,5-dichloro-4-iodobenzamide is NC(=O)c1cc(Cl)c(I)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-iodobenzamide?
The InChIKey is PPQCSLAMJFEELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2INO/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H2,11,12).
What are the key properties of 3,5-dichloro-4-iodobenzamide?
3,5-dichloro-4-iodobenzamide has a molecular weight of 315.93 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-iodobenzamide is sourced from PubChem (CID 50849721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).