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

C14H11BrN2OS — CID 82703506

IUPACN-(4-bromo-2-carbamothioylphenyl)benzamide
SMILESNC(=S)c1cc(Br)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C14H11BrN2OS/c15-10-6-7-12(11(8-10)13(16)19)17-14(18)9-4-2-1-3-5-9/h1-8H,(H2,16,19)(H,17,18)
InChIKeyUZXRHRHFUCLUHQ-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.34
Rot. Bonds3

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

N-(4-bromo-2-carbamothioylphenyl)benzamide (PubChem CID 82703506) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is N-(4-bromo-2-carbamothioylphenyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-carbamothioylphenyl)benzamide
PubChem CID82703506
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC NameN-(4-bromo-2-carbamothioylphenyl)benzamide
SMILESNC(=S)c1cc(Br)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C14H11BrN2OS/c15-10-6-7-12(11(8-10)13(16)19)17-14(18)9-4-2-1-3-5-9/h1-8H,(H2,16,19)(H,17,18)
InChIKeyUZXRHRHFUCLUHQ-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

3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703358
N-(4-bromo-2-carbamothioylphenyl)pyridine-4-carboxamide
CID 82704416
3-bromo-N-(4-bromo-2-carbamothioylphenyl)-4-methylbenzamide
CID 82693792
(2-benzoyl-4-bromophenyl)thiourea
CID 169360025
2,5-dibromo-N-(2-carbamothioylphenyl)benzamide
CID 114369521
3-bromo-N-(5-bromo-2-carbamothioylphenyl)benzamide
CID 107798682
N-(4-bromo-2-carbamothioylphenyl)-1H-pyrazole-5-carboxamide
CID 82704410
N-(4-bromo-2-carbamothioylphenyl)-5-fluoropyridine-3-carboxamide
CID 104785905
5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
CID 43378988
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
N-(4-bromo-2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 82703356
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-carbamothioylphenyl)benzamide?
The IUPAC name of N-(4-bromo-2-carbamothioylphenyl)benzamide (CID 82703506) is N-(4-bromo-2-carbamothioylphenyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-carbamothioylphenyl)benzamide?
The canonical SMILES for N-(4-bromo-2-carbamothioylphenyl)benzamide is NC(=S)c1cc(Br)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-bromo-2-carbamothioylphenyl)benzamide?
The InChIKey is UZXRHRHFUCLUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-10-6-7-12(11(8-10)13(16)19)17-14(18)9-4-2-1-3-5-9/h1-8H,(H2,16,19)(H,17,18).
What are the key properties of N-(4-bromo-2-carbamothioylphenyl)benzamide?
N-(4-bromo-2-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 N-(4-bromo-2-carbamothioylphenyl)benzamide is sourced from PubChem (CID 82703506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).