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

C14H11BrN2OS — CID 24690668

IUPAC2-bromo-N-(4-carbamothioylphenyl)benzamide
SMILESNC(=S)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C14H11BrN2OS/c15-12-4-2-1-3-11(12)14(18)17-10-7-5-9(6-8-10)13(16)19/h1-8H,(H2,16,19)(H,17,18)
InChIKeyWUXUBGGHISKJRH-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.34
Rot. Bonds3

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

2-bromo-N-(4-carbamothioylphenyl)benzamide (PubChem CID 24690668) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-bromo-N-(4-carbamothioylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-carbamothioylphenyl)benzamide
PubChem CID24690668
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name2-bromo-N-(4-carbamothioylphenyl)benzamide
SMILESNC(=S)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C14H11BrN2OS/c15-12-4-2-1-3-11(12)14(18)17-10-7-5-9(6-8-10)13(16)19/h1-8H,(H2,16,19)(H,17,18)
InChIKeyWUXUBGGHISKJRH-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.34
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-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 78791778
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
2-bromo-N-(3-carbamothioyl-4-fluorophenyl)benzamide
CID 62318065
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide
CID 978368
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
4-[(2-bromobenzoyl)carbamothioylamino]benzoic acid
CID 1328259
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112
2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide
CID 23848830
4-bromo-N-(4-carbamothioylphenyl)-2-fluorobenzamide
CID 28539669
4-[(2-bromobenzoyl)carbamothioylamino]benzoate
CID 7316279

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-carbamothioylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(4-carbamothioylphenyl)benzamide (CID 24690668) is 2-bromo-N-(4-carbamothioylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-carbamothioylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(4-carbamothioylphenyl)benzamide is NC(=S)c1ccc(NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-carbamothioylphenyl)benzamide?
The InChIKey is WUXUBGGHISKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-12-4-2-1-3-11(12)14(18)17-10-7-5-9(6-8-10)13(16)19/h1-8H,(H2,16,19)(H,17,18).
What are the key properties of 2-bromo-N-(4-carbamothioylphenyl)benzamide?
2-bromo-N-(4-carbamothioylphenyl)benzamide has a molecular weight of 335.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-carbamothioylphenyl)benzamide is sourced from PubChem (CID 24690668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).