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

C11H8ClF3N2O2 — CID 103799782

IUPACN-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESN#Cc1ccc(NC(=O)COCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H8ClF3N2O2/c12-8-3-7(4-16)1-2-9(8)17-10(18)5-19-6-11(13,14)15/h1-3H,5-6H2,(H,17,18)
InChIKeyMTXWFBHGTMOCPZ-UHFFFAOYSA-N
MW292.64 g/mol
LogP2.73
Rot. Bonds4

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

N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103799782) has the molecular formula C11H8ClF3N2O2 and a molecular weight of 292.64 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103799782
Molecular FormulaC11H8ClF3N2O2
Molecular Weight292.64 g/mol
Exact Mass292.02
IUPAC NameN-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESN#Cc1ccc(NC(=O)COCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H8ClF3N2O2/c12-8-3-7(4-16)1-2-9(8)17-10(18)5-19-6-11(13,14)15/h1-3H,5-6H2,(H,17,18)
InChIKeyMTXWFBHGTMOCPZ-UHFFFAOYSA-N
XLogP2.73
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103816393
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86847323
N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915349
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide
CID 107807962
2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide
CID 107808029
3-amino-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205666
3-bromo-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103206033
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252194
N-(2-chlorophenyl)-2-(4-cyano-2-fluorophenoxy)acetamide
CID 103792209
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103799782) is N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide is N#Cc1ccc(NC(=O)COCC(F)(F)F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MTXWFBHGTMOCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2/c12-8-3-7(4-16)1-2-9(8)17-10(18)5-19-6-11(13,14)15/h1-3H,5-6H2,(H,17,18).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 292.64 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103799782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).