N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide

C16H17BrN2O — CID 9079697

IUPACN-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
SMILESCc1ccc(C)c(NCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11-7-8-12(2)15(9-11)18-10-16(20)19-14-6-4-3-5-13(14)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyZRVGOLZVARFISW-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.12
Rot. Bonds4

About N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide

N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide (PubChem CID 9079697) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
PubChem CID9079697
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
SMILESCc1ccc(C)c(NCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11-7-8-12(2)15(9-11)18-10-16(20)19-14-6-4-3-5-13(14)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyZRVGOLZVARFISW-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-(2,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 26415868
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
[2-(2-bromoanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520073

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide (CID 9079697) is N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide is Cc1ccc(C)c(NCC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide?
The InChIKey is ZRVGOLZVARFISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-7-8-12(2)15(9-11)18-10-16(20)19-14-6-4-3-5-13(14)17/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide?
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide has a molecular weight of 333.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide is sourced from PubChem (CID 9079697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).