N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide

C16H17BrN2O — CID 832423

IUPACN-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1C
InChIInChI=1S/C16H17BrN2O/c1-11-3-6-15(9-12(11)2)18-10-16(20)19-14-7-4-13(17)5-8-14/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyUAOVCYVNLQVWMP-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.12
Rot. Bonds4

About N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide

N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide (PubChem CID 832423) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide
PubChem CID832423
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1C
InChIInChI=1S/C16H17BrN2O/c1-11-3-6-15(9-12(11)2)18-10-16(20)19-14-7-4-13(17)5-8-14/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyUAOVCYVNLQVWMP-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide (CID 832423) is N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1C.
What is the InChIKey of N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide?
The InChIKey is UAOVCYVNLQVWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-3-6-15(9-12(11)2)18-10-16(20)19-14-7-4-13(17)5-8-14/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide?
N-(4-bromophenyl)-2-(3,4-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-(4-bromophenyl)-2-(3,4-dimethylanilino)acetamide is sourced from PubChem (CID 832423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).