3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide

C11H13ClINOS — CID 103747389

IUPAC3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H13ClINOS/c1-14(5-6-16-2)11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyPKCKFBTXYCFJHQ-UHFFFAOYSA-N
MW369.66 g/mol
LogP3.38
Rot. Bonds4

About 3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide

3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 103747389) has the molecular formula C11H13ClINOS and a molecular weight of 369.66 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID103747389
Molecular FormulaC11H13ClINOS
Molecular Weight369.66 g/mol
Exact Mass368.95
IUPAC Name3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H13ClINOS/c1-14(5-6-16-2)11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyPKCKFBTXYCFJHQ-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.66
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
4-[(3-chloro-4-iodobenzoyl)-methylamino]butanoic acid
CID 103803012
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide
CID 107034188
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 71856556
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide (CID 103747389) is 3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide is CSCCN(C)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is PKCKFBTXYCFJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINOS/c1-14(5-6-16-2)11(15)8-3-4-10(13)9(12)7-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide?
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 369.66 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 103747389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).