N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide

C10H11ClINOS — CID 103766867

IUPACN-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H11ClINOS/c1-15-5-4-10(14)13-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyNRGPXHWHXJLSFS-UHFFFAOYSA-N
MW355.63 g/mol
LogP3.64
Rot. Bonds4

About N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide

N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide (PubChem CID 103766867) has the molecular formula C10H11ClINOS and a molecular weight of 355.63 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
PubChem CID103766867
Molecular FormulaC10H11ClINOS
Molecular Weight355.63 g/mol
Exact Mass354.93
IUPAC NameN-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H11ClINOS/c1-15-5-4-10(14)13-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyNRGPXHWHXJLSFS-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.63
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
4-chloro-2-(3-methylsulfanylpropanoylamino)benzoic acid
CID 28777632
5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
CID 104573932
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
ethyl 4-(4-chloro-2-iodoanilino)-4-oxobutanoate
CID 113257827
N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide
CID 130166556
3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636900
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
CID 107301045
3-fluoro-4-(3-methylsulfanylpropanoylamino)benzoic acid
CID 63190269

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide (CID 103766867) is N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide?
The InChIKey is NRGPXHWHXJLSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINOS/c1-15-5-4-10(14)13-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide?
N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide has a molecular weight of 355.63 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 103766867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).