N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide

C14H12Br2N2OS — CID 79215660

IUPACN-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2OS/c1-20-12-5-3-2-4-9(12)14(19)18-13-10(16)6-8(15)7-11(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyFMGRIJPMPGFARB-UHFFFAOYSA-N
MW416.14 g/mol
LogP4.77
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide

N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide (PubChem CID 79215660) has the molecular formula C14H12Br2N2OS and a molecular weight of 416.14 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide
PubChem CID79215660
Molecular FormulaC14H12Br2N2OS
Molecular Weight416.14 g/mol
Exact Mass413.90
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2OS/c1-20-12-5-3-2-4-9(12)14(19)18-13-10(16)6-8(15)7-11(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyFMGRIJPMPGFARB-UHFFFAOYSA-N
XLogP4.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.14
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 107872334
N-(2-amino-4,6-dibromophenyl)benzamide
CID 43548444
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
CID 63047885
N-(2-amino-4,6-dibromophenyl)-4-hydroxy-2-methylbenzamide
CID 107670590
N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
CID 62874469
N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
CID 112725117
N-(4-bromo-3-methylphenyl)-2-methylsulfanylbenzamide
CID 1243705
N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
N-(5-bromo-2-carbamothioylphenyl)-2-methylsulfanylbenzamide
CID 107798777
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide (CID 79215660) is N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1c(N)cc(Br)cc1Br.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide?
The InChIKey is FMGRIJPMPGFARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2OS/c1-20-12-5-3-2-4-9(12)14(19)18-13-10(16)6-8(15)7-11(13)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide?
N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide has a molecular weight of 416.14 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 79215660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).