N-(3-bromophenyl)-4-carbamothioylbenzamide

C14H11BrN2OS — CID 24708303

IUPACN-(3-bromophenyl)-4-carbamothioylbenzamide
SMILESNC(=S)c1ccc(C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C14H11BrN2OS/c15-11-2-1-3-12(8-11)17-14(18)10-6-4-9(5-7-10)13(16)19/h1-8H,(H2,16,19)(H,17,18)
InChIKeyALQPPUBHEYMVQM-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.34
Rot. Bonds3

About N-(3-bromophenyl)-4-carbamothioylbenzamide

N-(3-bromophenyl)-4-carbamothioylbenzamide (PubChem CID 24708303) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-carbamothioylbenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-carbamothioylbenzamide
PubChem CID24708303
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC NameN-(3-bromophenyl)-4-carbamothioylbenzamide
SMILESNC(=S)c1ccc(C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C14H11BrN2OS/c15-11-2-1-3-12(8-11)17-14(18)10-6-4-9(5-7-10)13(16)19/h1-8H,(H2,16,19)(H,17,18)
InChIKeyALQPPUBHEYMVQM-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

4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
N-(3-carbamothioylphenyl)-4-hydroxybenzamide
CID 24695389
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
N-(3-carbamothioylphenyl)-3,4-dihydroxybenzamide
CID 107728355
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-carbamothioylbenzamide?
The IUPAC name of N-(3-bromophenyl)-4-carbamothioylbenzamide (CID 24708303) is N-(3-bromophenyl)-4-carbamothioylbenzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-carbamothioylbenzamide?
The canonical SMILES for N-(3-bromophenyl)-4-carbamothioylbenzamide is NC(=S)c1ccc(C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-carbamothioylbenzamide?
The InChIKey is ALQPPUBHEYMVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-11-2-1-3-12(8-11)17-14(18)10-6-4-9(5-7-10)13(16)19/h1-8H,(H2,16,19)(H,17,18).
What are the key properties of N-(3-bromophenyl)-4-carbamothioylbenzamide?
N-(3-bromophenyl)-4-carbamothioylbenzamide 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-(3-bromophenyl)-4-carbamothioylbenzamide is sourced from PubChem (CID 24708303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).