2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide

C17H15BrF3N3O2 — CID 31418044

IUPAC2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2ccc(Br)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C17H15BrF3N3O2/c1-10(25)23-13-6-7-15(14(8-13)17(19,20)21)22-9-16(26)24-12-4-2-11(18)3-5-12/h2-8,22H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyHFWPTLGJPIZPCD-UHFFFAOYSA-N
MW430.22 g/mol
LogP4.48
Rot. Bonds5

About 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide

2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide (PubChem CID 31418044) has the molecular formula C17H15BrF3N3O2 and a molecular weight of 430.22 g/mol. Its IUPAC name is 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide
PubChem CID31418044
Molecular FormulaC17H15BrF3N3O2
Molecular Weight430.22 g/mol
Exact Mass429.03
IUPAC Name2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2ccc(Br)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C17H15BrF3N3O2/c1-10(25)23-13-6-7-15(14(8-13)17(19,20)21)22-9-16(26)24-12-4-2-11(18)3-5-12/h2-8,22H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyHFWPTLGJPIZPCD-UHFFFAOYSA-N
XLogP4.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.22
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 31418097
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32915177
N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 46604266
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 37175471
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
2-(2-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 28939365
2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
CID 65484378
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
2-(5-bromo-2-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 43555709
2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 37278653

Frequently Asked Questions

What is the IUPAC name of 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide (CID 31418044) is 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide is CC(=O)Nc1ccc(NCC(=O)Nc2ccc(Br)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide?
The InChIKey is HFWPTLGJPIZPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3N3O2/c1-10(25)23-13-6-7-15(14(8-13)17(19,20)21)22-9-16(26)24-12-4-2-11(18)3-5-12/h2-8,22H,9H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide?
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide has a molecular weight of 430.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 31418044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).