N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide

C15H11ClIN3O2S — CID 1305548

IUPACN-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
SMILESNC(=O)c1ccccc1NC(=S)NC(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C15H11ClIN3O2S/c16-11-6-5-8(17)7-10(11)14(22)20-15(23)19-12-4-2-1-3-9(12)13(18)21/h1-7H,(H2,18,21)(H2,19,20,22,23)
InChIKeyHDJRVGFVTLKYLS-UHFFFAOYSA-N
MW459.70 g/mol
LogP3.17
Rot. Bonds3

About N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide

N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide (PubChem CID 1305548) has the molecular formula C15H11ClIN3O2S and a molecular weight of 459.70 g/mol. Its IUPAC name is N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide.

Molecular Properties

Compound NameN-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
PubChem CID1305548
Molecular FormulaC15H11ClIN3O2S
Molecular Weight459.70 g/mol
Exact Mass458.93
IUPAC NameN-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
SMILESNC(=O)c1ccccc1NC(=S)NC(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C15H11ClIN3O2S/c16-11-6-5-8(17)7-10(11)14(22)20-15(23)19-12-4-2-1-3-9(12)13(18)21/h1-7H,(H2,18,21)(H2,19,20,22,23)
InChIKeyHDJRVGFVTLKYLS-UHFFFAOYSA-N
XLogP3.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.70
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 1048232
2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
CID 2202064
2-chloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 22780153
2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-5-iodobenzoic acid
CID 1018720
2-chloro-N-[(2-ethyl-4-iodophenyl)carbamothioyl]benzamide
CID 1395361
5-amino-N-(2-carbamoylphenyl)-2-chlorobenzamide
CID 28723008
2-[(2-chloro-5-methylbenzoyl)carbamothioylamino]benzoic acid
CID 58190030
5-bromo-2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 3888641
2-chloro-5-iodo-N-[(5-iodo-2-pyridinyl)carbamothioyl]benzamide
CID 4504034
2-chloro-5-iodo-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 1346186
2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 4593422
2-[(3,4-dichlorophenyl)carbamothioylamino]benzamide
CID 3658903

Frequently Asked Questions

What is the IUPAC name of N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide?
The IUPAC name of N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide (CID 1305548) is N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide.
What is the SMILES notation for N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide?
The canonical SMILES for N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide is NC(=O)c1ccccc1NC(=S)NC(=O)c1cc(I)ccc1Cl.
What is the InChIKey of N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide?
The InChIKey is HDJRVGFVTLKYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClIN3O2S/c16-11-6-5-8(17)7-10(11)14(22)20-15(23)19-12-4-2-1-3-9(12)13(18)21/h1-7H,(H2,18,21)(H2,19,20,22,23).
What are the key properties of N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide?
N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide has a molecular weight of 459.70 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-carbamoylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide is sourced from PubChem (CID 1305548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).