N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide

C15H14BrFN2O — CID 2530900

IUPACN-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide
SMILESCc1cc(F)ccc1NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-10-8-11(17)6-7-13(10)18-9-15(20)19-14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyARSSTUMLUBGFSA-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.95
Rot. Bonds4

About N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide

N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide (PubChem CID 2530900) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide
PubChem CID2530900
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide
SMILESCc1cc(F)ccc1NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-10-8-11(17)6-7-13(10)18-9-15(20)19-14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyARSSTUMLUBGFSA-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide (CID 2530900) is N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide is Cc1cc(F)ccc1NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The InChIKey is ARSSTUMLUBGFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-10-8-11(17)6-7-13(10)18-9-15(20)19-14-5-3-2-4-12(14)16/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide?
N-(2-bromophenyl)-2-(4-fluoro-2-methylanilino)acetamide has a molecular weight of 337.19 g/mol, XLogP of 3.95, 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-(4-fluoro-2-methylanilino)acetamide is sourced from PubChem (CID 2530900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).