1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide

C11H10ClIN2OS — CID 107605680

IUPAC1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2ccc(I)cc2Cl)CC1
InChIInChI=1S/C11H10ClIN2OS/c12-7-5-6(13)1-2-8(7)15-10(16)11(3-4-11)9(14)17/h1-2,5H,3-4H2,(H2,14,17)(H,15,16)
InChIKeyNTATXUZQZTXWQW-UHFFFAOYSA-N
MW380.64 g/mol
LogP2.95
Rot. Bonds3

About 1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide (PubChem CID 107605680) has the molecular formula C11H10ClIN2OS and a molecular weight of 380.64 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide
PubChem CID107605680
Molecular FormulaC11H10ClIN2OS
Molecular Weight380.64 g/mol
Exact Mass379.92
IUPAC Name1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2ccc(I)cc2Cl)CC1
InChIInChI=1S/C11H10ClIN2OS/c12-7-5-6(13)1-2-8(7)15-10(16)11(3-4-11)9(14)17/h1-2,5H,3-4H2,(H2,14,17)(H,15,16)
InChIKeyNTATXUZQZTXWQW-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.64
LogP ≤ 52.95
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

1-carbamothioyl-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 80591786
1-carbamothioyl-N-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxamide
CID 80589467
1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
CID 113311601
1-carbamothioyl-N-(2-chloro-5-methylphenyl)cyclobutane-1-carboxamide
CID 107625997
N-(2-chloro-4-iodophenyl)adamantane-1-carboxamide
CID 107606816
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80591867
1-carbamothioyl-N-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxamide
CID 80593248
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140297
1-carbamothioyl-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586162
1-carbamothioyl-N-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxamide
CID 80592744

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide (CID 107605680) is 1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide is NC(=S)C1(C(=O)Nc2ccc(I)cc2Cl)CC1.
What is the InChIKey of 1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide?
The InChIKey is NTATXUZQZTXWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2OS/c12-7-5-6(13)1-2-8(7)15-10(16)11(3-4-11)9(14)17/h1-2,5H,3-4H2,(H2,14,17)(H,15,16).
What are the key properties of 1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide has a molecular weight of 380.64 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107605680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).