2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide

C17H17BrFN3O2 — CID 37278653

IUPAC2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(F)c(NCC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H17BrFN3O2/c1-10-7-12(18)3-6-15(10)22-17(24)9-20-16-8-13(21-11(2)23)4-5-14(16)19/h3-8,20H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHWADCYDFGZGCET-UHFFFAOYSA-N
MW394.24 g/mol
LogP3.91
Rot. Bonds5

About 2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide

2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 37278653) has the molecular formula C17H17BrFN3O2 and a molecular weight of 394.24 g/mol. Its IUPAC name is 2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID37278653
Molecular FormulaC17H17BrFN3O2
Molecular Weight394.24 g/mol
Exact Mass393.05
IUPAC Name2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(F)c(NCC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H17BrFN3O2/c1-10-7-12(18)3-6-15(10)22-17(24)9-20-16-8-13(21-11(2)23)4-5-14(16)19/h3-8,20H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHWADCYDFGZGCET-UHFFFAOYSA-N
XLogP3.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609
N'-(4-bromo-2-methylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956666
2-(5-bromo-2-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 43555709
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
2-(5-acetamido-2-fluoroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 37278206
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 115868166
N-[3-[(5-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 103696999
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide
CID 55860000

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide (CID 37278653) is 2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide is CC(=O)Nc1ccc(F)c(NCC(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of 2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is HWADCYDFGZGCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O2/c1-10-7-12(18)3-6-15(10)22-17(24)9-20-16-8-13(21-11(2)23)4-5-14(16)19/h3-8,20H,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide?
2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 394.24 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 37278653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).