N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H8BrF3N2O2 — CID 103816393

IUPACN-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESN#Cc1cc(Br)ccc1NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H8BrF3N2O2/c12-8-1-2-9(7(3-8)4-16)17-10(18)5-19-6-11(13,14)15/h1-3H,5-6H2,(H,17,18)
InChIKeyKTQXLDQWOQODBJ-UHFFFAOYSA-N
MW337.10 g/mol
LogP2.84
Rot. Bonds4

About N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103816393) has the molecular formula C11H8BrF3N2O2 and a molecular weight of 337.10 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103816393
Molecular FormulaC11H8BrF3N2O2
Molecular Weight337.10 g/mol
Exact Mass335.97
IUPAC NameN-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESN#Cc1cc(Br)ccc1NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H8BrF3N2O2/c12-8-1-2-9(7(3-8)4-16)17-10(18)5-19-6-11(13,14)15/h1-3H,5-6H2,(H,17,18)
InChIKeyKTQXLDQWOQODBJ-UHFFFAOYSA-N
XLogP2.84
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
4-bromo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205874
3-bromo-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103206033
N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103799782
N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208294
3-amino-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205666
N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
CID 82707700
N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862
(4-bromo-2-cyanophenyl)urea
CID 82708837
N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide
CID 43548887
N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 29004789
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103816393) is N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide is N#Cc1cc(Br)ccc1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is KTQXLDQWOQODBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O2/c12-8-1-2-9(7(3-8)4-16)17-10(18)5-19-6-11(13,14)15/h1-3H,5-6H2,(H,17,18).
What are the key properties of N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 337.10 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103816393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).