4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide

C14H11Br3N2O — CID 28991635

IUPAC4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
SMILESCc1cc(C(=O)Nc2c(Br)cc(Br)cc2Br)ccc1N
InChIInChI=1S/C14H11Br3N2O/c1-7-4-8(2-3-12(7)18)14(20)19-13-10(16)5-9(15)6-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPLRBTHCGEVIBGE-UHFFFAOYSA-N
MW462.97 g/mol
LogP5.12
Rot. Bonds2

About 4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide

4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide (PubChem CID 28991635) has the molecular formula C14H11Br3N2O and a molecular weight of 462.97 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
PubChem CID28991635
Molecular FormulaC14H11Br3N2O
Molecular Weight462.97 g/mol
Exact Mass459.84
IUPAC Name4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
SMILESCc1cc(C(=O)Nc2c(Br)cc(Br)cc2Br)ccc1N
InChIInChI=1S/C14H11Br3N2O/c1-7-4-8(2-3-12(7)18)14(20)19-13-10(16)5-9(15)6-11(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPLRBTHCGEVIBGE-UHFFFAOYSA-N
XLogP5.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.97
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
CID 43548126
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
N-(2-amino-4,6-dibromophenyl)-4-hydroxy-2-methylbenzamide
CID 107670590
N-(2-amino-4,6-dibromophenyl)benzamide
CID 43548444
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
CID 43550039
N-(2,6-dibromophenyl)-4-hydroxy-3-methylbenzamide
CID 107676885
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
CID 43702662
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide?
The IUPAC name of 4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide (CID 28991635) is 4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide?
The canonical SMILES for 4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide is Cc1cc(C(=O)Nc2c(Br)cc(Br)cc2Br)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide?
The InChIKey is PLRBTHCGEVIBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3N2O/c1-7-4-8(2-3-12(7)18)14(20)19-13-10(16)5-9(15)6-11(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide?
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide has a molecular weight of 462.97 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide is sourced from PubChem (CID 28991635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).