2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide

C15H12ClIN2OS — CID 107626033

IUPAC2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2ccc(Cl)cc2I)cc1
InChIInChI=1S/C15H12ClIN2OS/c16-11-5-6-13(12(17)8-11)19-14(20)7-9-1-3-10(4-2-9)15(18)21/h1-6,8H,7H2,(H2,18,21)(H,19,20)
InChIKeyCYQZEKDIOVIFQF-UHFFFAOYSA-N
MW430.70 g/mol
LogP3.76
Rot. Bonds4

About 2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide

2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide (PubChem CID 107626033) has the molecular formula C15H12ClIN2OS and a molecular weight of 430.70 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide
PubChem CID107626033
Molecular FormulaC15H12ClIN2OS
Molecular Weight430.70 g/mol
Exact Mass429.94
IUPAC Name2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2ccc(Cl)cc2I)cc1
InChIInChI=1S/C15H12ClIN2OS/c16-11-5-6-13(12(17)8-11)19-14(20)7-9-1-3-10(4-2-9)15(18)21/h1-6,8H,7H2,(H2,18,21)(H,19,20)
InChIKeyCYQZEKDIOVIFQF-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.70
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 81268674
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzamide
CID 107625383
2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide
CID 63591399
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 63589257
N-(4-chloro-2-iodophenyl)-2-(2,4-difluorophenyl)acetamide
CID 103766816
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
4-(4-chloro-2-iodoanilino)-3,5-difluorobenzenecarbothioamide
CID 107635599

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide (CID 107626033) is 2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide is NC(=S)c1ccc(CC(=O)Nc2ccc(Cl)cc2I)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide?
The InChIKey is CYQZEKDIOVIFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2OS/c16-11-5-6-13(12(17)8-11)19-14(20)7-9-1-3-10(4-2-9)15(18)21/h1-6,8H,7H2,(H2,18,21)(H,19,20).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide?
2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide has a molecular weight of 430.70 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide is sourced from PubChem (CID 107626033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).