N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide

C14H9BrClFN2OS — CID 107789965

IUPACN-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide
SMILESNC(=S)c1ccc(NC(=O)c2cccc(F)c2Cl)c(Br)c1
InChIInChI=1S/C14H9BrClFN2OS/c15-9-6-7(13(18)21)4-5-11(9)19-14(20)8-2-1-3-10(17)12(8)16/h1-6H,(H2,18,21)(H,19,20)
InChIKeyUJOGMVNRPNZGBB-UHFFFAOYSA-N
MW387.66 g/mol
LogP4.13
Rot. Bonds3

About N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide

N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide (PubChem CID 107789965) has the molecular formula C14H9BrClFN2OS and a molecular weight of 387.66 g/mol. Its IUPAC name is N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide
PubChem CID107789965
Molecular FormulaC14H9BrClFN2OS
Molecular Weight387.66 g/mol
Exact Mass385.93
IUPAC NameN-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide
SMILESNC(=S)c1ccc(NC(=O)c2cccc(F)c2Cl)c(Br)c1
InChIInChI=1S/C14H9BrClFN2OS/c15-9-6-7(13(18)21)4-5-11(9)19-14(20)8-2-1-3-10(17)12(8)16/h1-6H,(H2,18,21)(H,19,20)
InChIKeyUJOGMVNRPNZGBB-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.66
LogP ≤ 54.13
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

4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
CID 107789911
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide
CID 107789633
3-bromo-N-(2-bromo-4-carbamothioylphenyl)benzamide
CID 107789578
2-bromo-N-(4-carbamothioyl-2-fluorophenyl)-6-fluorobenzamide
CID 114559284
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-2-fluorobenzamide
CID 107808358
2-amino-N-(2-bromo-4-chlorophenyl)-3-fluorobenzamide
CID 81275442
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide
CID 107789542
2-bromo-N-(4-carbamothioyl-2-chlorophenyl)-3-methylbenzamide
CID 107982299
3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81453310
N-(2-bromo-4-carbamothioylphenyl)-5-chlorothiophene-2-carboxamide
CID 107789645
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107789533
N-(2-bromo-4-chlorophenyl)-2,3-dichlorobenzamide
CID 81028936

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide?
The IUPAC name of N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide (CID 107789965) is N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide?
The canonical SMILES for N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide is NC(=S)c1ccc(NC(=O)c2cccc(F)c2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide?
The InChIKey is UJOGMVNRPNZGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2OS/c15-9-6-7(13(18)21)4-5-11(9)19-14(20)8-2-1-3-10(17)12(8)16/h1-6H,(H2,18,21)(H,19,20).
What are the key properties of N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide?
N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide has a molecular weight of 387.66 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide is sourced from PubChem (CID 107789965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).