N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide

C16H17BrN2O — CID 29008296

IUPACN-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Br)cc2N)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-5-4-12(17)8-13(14)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyJBMNCWWHOBBXEP-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.21
Rot. Bonds2

About N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide

N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide (PubChem CID 29008296) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
PubChem CID29008296
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Br)cc2N)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-5-4-12(17)8-13(14)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyJBMNCWWHOBBXEP-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.21
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

N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
CID 53267510
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 103144421
N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide
CID 29008265
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
CID 43549842
N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide
CID 43130501
N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide
CID 63257510
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
CID 6469057
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide (CID 29008296) is N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(Br)cc2N)c(C)c1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide?
The InChIKey is JBMNCWWHOBBXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-5-4-12(17)8-13(14)18/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide?
N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 29008296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).