N-(2-bromo-4-carbamothioylphenyl)propanamide

C10H11BrN2OS — CID 107789663

IUPACN-(2-bromo-4-carbamothioylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(C(N)=S)cc1Br
InChIInChI=1S/C10H11BrN2OS/c1-2-9(14)13-8-4-3-6(10(12)15)5-7(8)11/h3-5H,2H2,1H3,(H2,12,15)(H,13,14)
InChIKeyDNNDHUAOQHCVJW-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.43
Rot. Bonds3

About N-(2-bromo-4-carbamothioylphenyl)propanamide

N-(2-bromo-4-carbamothioylphenyl)propanamide (PubChem CID 107789663) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is N-(2-bromo-4-carbamothioylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-carbamothioylphenyl)propanamide
PubChem CID107789663
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC NameN-(2-bromo-4-carbamothioylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(C(N)=S)cc1Br
InChIInChI=1S/C10H11BrN2OS/c1-2-9(14)13-8-4-3-6(10(12)15)5-7(8)11/h3-5H,2H2,1H3,(H2,12,15)(H,13,14)
InChIKeyDNNDHUAOQHCVJW-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-carbamothioylphenyl)-3-phenylpropanamide
CID 107789510
N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide
CID 107789853
2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide
CID 63591399
ethyl 2-(2-bromo-4-carbamothioylanilino)acetate
CID 82805016
3-bromo-N-(2-bromo-4-carbamothioylphenyl)benzamide
CID 107789578
3-bromo-4-(methylamino)benzenecarbothioamide
CID 82804993
N-(2-bromo-4-carbamothioylphenyl)-5-ethylthiophene-2-carboxamide
CID 107789968
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(2-bromo-4-carbamothioylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107789933
2-(2-bromo-4-carbamothioylanilino)-N-cyclopropylacetamide
CID 82804920
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide
CID 107789633
3-(2-bromo-4-carbamothioylanilino)propanamide
CID 82804027

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-carbamothioylphenyl)propanamide?
The IUPAC name of N-(2-bromo-4-carbamothioylphenyl)propanamide (CID 107789663) is N-(2-bromo-4-carbamothioylphenyl)propanamide.
What is the SMILES notation for N-(2-bromo-4-carbamothioylphenyl)propanamide?
The canonical SMILES for N-(2-bromo-4-carbamothioylphenyl)propanamide is CCC(=O)Nc1ccc(C(N)=S)cc1Br.
What is the InChIKey of N-(2-bromo-4-carbamothioylphenyl)propanamide?
The InChIKey is DNNDHUAOQHCVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-2-9(14)13-8-4-3-6(10(12)15)5-7(8)11/h3-5H,2H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of N-(2-bromo-4-carbamothioylphenyl)propanamide?
N-(2-bromo-4-carbamothioylphenyl)propanamide has a molecular weight of 287.18 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-carbamothioylphenyl)propanamide is sourced from PubChem (CID 107789663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).