3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide

C9H8BrClN2OS — CID 103479588

IUPAC3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H8BrClN2OS/c10-9-5(11)2-1-3-6(9)13-8(14)4-7(12)15/h1-3H,4H2,(H2,12,15)(H,13,14)
InChIKeyHVERICCKSQPKAA-UHFFFAOYSA-N
MW307.60 g/mol
LogP2.72
Rot. Bonds3

About 3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide

3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide (PubChem CID 103479588) has the molecular formula C9H8BrClN2OS and a molecular weight of 307.60 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
PubChem CID103479588
Molecular FormulaC9H8BrClN2OS
Molecular Weight307.60 g/mol
Exact Mass305.92
IUPAC Name3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H8BrClN2OS/c10-9-5(11)2-1-3-6(9)13-8(14)4-7(12)15/h1-3H,4H2,(H2,12,15)(H,13,14)
InChIKeyHVERICCKSQPKAA-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.60
LogP ≤ 52.72
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

2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
2-(2-aminophenoxy)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103477091
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103477123
N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038582
N-[2-(2-bromo-3-chloroanilino)-2-oxoethyl]benzamide
CID 103480014
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
1-(2-bromo-3-chlorophenyl)-3-ethylthiourea
CID 103478742
N-(2-bromo-3-chlorophenyl)-2,6-dihydroxybenzamide
CID 107688834
3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-sulfanylidenepropanamide
CID 28993502

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide (CID 103479588) is 3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide is NC(=S)CC(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide?
The InChIKey is HVERICCKSQPKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2OS/c10-9-5(11)2-1-3-6(9)13-8(14)4-7(12)15/h1-3H,4H2,(H2,12,15)(H,13,14).
What are the key properties of 3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide?
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide has a molecular weight of 307.60 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 103479588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).