N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide

C14H10BrClN2OS — CID 81270417

IUPACN-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
SMILESNC(=S)c1ccc(C(=O)Nc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C14H10BrClN2OS/c15-11-6-5-10(16)7-12(11)18-14(19)9-3-1-8(2-4-9)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyMIWYBPQJMWIJTO-UHFFFAOYSA-N
MW369.67 g/mol
LogP3.99
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide

N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide (PubChem CID 81270417) has the molecular formula C14H10BrClN2OS and a molecular weight of 369.67 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
PubChem CID81270417
Molecular FormulaC14H10BrClN2OS
Molecular Weight369.67 g/mol
Exact Mass367.94
IUPAC NameN-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
SMILESNC(=S)c1ccc(C(=O)Nc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C14H10BrClN2OS/c15-11-6-5-10(16)7-12(11)18-14(19)9-3-1-8(2-4-9)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyMIWYBPQJMWIJTO-UHFFFAOYSA-N
XLogP3.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 53.99
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

N-(2-bromo-5-chlorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 81271163
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
CID 29037968
N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 81268674
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide
CID 81275531
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
N-(2-bromo-5-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81272102
3-amino-N-(2-bromo-5-chlorophenyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 81270751

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide (CID 81270417) is N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide is NC(=S)c1ccc(C(=O)Nc2cc(Cl)ccc2Br)cc1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide?
The InChIKey is MIWYBPQJMWIJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2OS/c15-11-6-5-10(16)7-12(11)18-14(19)9-3-1-8(2-4-9)13(17)20/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide?
N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide has a molecular weight of 369.67 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide is sourced from PubChem (CID 81270417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).