2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide

C15H13BrN2O2S — CID 83135884

IUPAC2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide
SMILESNC(=S)c1cc(Br)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C15H13BrN2O2S/c16-10-6-7-13(12(8-10)15(17)21)20-9-14(19)18-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,21)(H,18,19)
InChIKeyBSVFZKIGQSBJBI-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.10
Rot. Bonds5

About 2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide

2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide (PubChem CID 83135884) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide
PubChem CID83135884
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide
SMILESNC(=S)c1cc(Br)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C15H13BrN2O2S/c16-10-6-7-13(12(8-10)15(17)21)20-9-14(19)18-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,21)(H,18,19)
InChIKeyBSVFZKIGQSBJBI-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707260
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
CID 62369379
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
2-(4-bromo-2-carbamothioylphenoxy)-N-cyclopropylacetamide
CID 83144814
2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide
CID 24703026
2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19619525
2-(2-anilino-2-oxoethoxy)-5-iodobenzoic acid
CID 45418047
2-(2-amino-4-bromophenoxy)-N-(4-bromophenyl)acetamide
CID 65430170
2-anilino-5-bromobenzenecarbothioamide
CID 114891111
2-(4-bromo-2-carbamothioylphenoxy)-N-ethyl-N-methylacetamide
CID 83146158
2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide
CID 24691201
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide?
The IUPAC name of 2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide (CID 83135884) is 2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide.
What is the SMILES notation for 2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide?
The canonical SMILES for 2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide is NC(=S)c1cc(Br)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide?
The InChIKey is BSVFZKIGQSBJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-10-6-7-13(12(8-10)15(17)21)20-9-14(19)18-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,21)(H,18,19).
What are the key properties of 2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide?
2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide has a molecular weight of 365.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 83135884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).