N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide

C17H14BrF3N2O3 — CID 2542293

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C17H14BrF3N2O3/c18-14-7-6-11(8-13(14)17(19,20)21)23-15(24)9-22-16(25)10-26-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,22,25)(H,23,24)
InChIKeyXRNPDYJNKJHVFK-UHFFFAOYSA-N
MW431.21 g/mol
LogP3.60
Rot. Bonds6

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 2542293) has the molecular formula C17H14BrF3N2O3 and a molecular weight of 431.21 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID2542293
Molecular FormulaC17H14BrF3N2O3
Molecular Weight431.21 g/mol
Exact Mass430.01
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C17H14BrF3N2O3/c18-14-7-6-11(8-13(14)17(19,20)21)23-15(24)9-22-16(25)10-26-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,22,25)(H,23,24)
InChIKeyXRNPDYJNKJHVFK-UHFFFAOYSA-N
XLogP3.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.21
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
tert-butyl N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]carbamate
CID 60596349
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957929
N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide
CID 114259290
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 18228282
5-[4-bromo-3-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 60699581
N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 7965634
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 7922867
N-(2-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112997501
N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113000525
N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9259898

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide (CID 2542293) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide is O=C(COc1ccccc1)NCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is XRNPDYJNKJHVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2O3/c18-14-7-6-11(8-13(14)17(19,20)21)23-15(24)9-22-16(25)10-26-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,22,25)(H,23,24).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 431.21 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 2542293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).