3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide

C15H13BrN2O2S — CID 1018499

IUPAC3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide
SMILESCOc1ccccc1NC(=S)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O2S/c1-20-13-8-3-2-7-12(13)17-15(21)18-14(19)10-5-4-6-11(16)9-10/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyUYUOVSZADRTQJG-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.58
Rot. Bonds3

About 3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide

3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide (PubChem CID 1018499) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide
PubChem CID1018499
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide
SMILESCOc1ccccc1NC(=S)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O2S/c1-20-13-8-3-2-7-12(13)17-15(21)18-14(19)10-5-4-6-11(16)9-10/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyUYUOVSZADRTQJG-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.58
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

3-bromo-N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 1018544
3-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1139228
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide
CID 2901874
3,4,5-triethoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1048249
3-bromo-N-[(2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 3261819
3-bromo-N-[(4-bromo-2-fluorophenyl)carbamothioyl]benzamide
CID 22779598
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
3-bromo-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]benzamide
CID 54791565
5-bromo-2-hexoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 17343695
3-bromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]benzamide
CID 2205920

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide (CID 1018499) is 3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide is COc1ccccc1NC(=S)NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide?
The InChIKey is UYUOVSZADRTQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-20-13-8-3-2-7-12(13)17-15(21)18-14(19)10-5-4-6-11(16)9-10/h2-9H,1H3,(H2,17,18,19,21).
What are the key properties of 3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide?
3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide has a molecular weight of 365.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1018499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).