N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C12H10F4N2O2 — CID 29004789

IUPACN-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESN#Cc1ccccc1NC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C12H10F4N2O2/c13-11(14)12(15,16)7-20-6-10(19)18-9-4-2-1-3-8(9)5-17/h1-4,11H,6-7H2,(H,18,19)
InChIKeyQMAGHOGYNKCLNJ-UHFFFAOYSA-N
MW290.22 g/mol
LogP2.41
Rot. Bonds6

About N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 29004789) has the molecular formula C12H10F4N2O2 and a molecular weight of 290.22 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID29004789
Molecular FormulaC12H10F4N2O2
Molecular Weight290.22 g/mol
Exact Mass290.07
IUPAC NameN-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESN#Cc1ccccc1NC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C12H10F4N2O2/c13-11(14)12(15,16)7-20-6-10(19)18-9-4-2-1-3-8(9)5-17/h1-4,11H,6-7H2,(H,18,19)
InChIKeyQMAGHOGYNKCLNJ-UHFFFAOYSA-N
XLogP2.41
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide
CID 29001628
[2-(2-cyanoanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7291022
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide
CID 7796207
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103816393
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564011
N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 43376874
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
[2-(2-cyanoanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996846
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 29004789) is N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide is N#Cc1ccccc1NC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is QMAGHOGYNKCLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O2/c13-11(14)12(15,16)7-20-6-10(19)18-9-4-2-1-3-8(9)5-17/h1-4,11H,6-7H2,(H,18,19).
What are the key properties of N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 290.22 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 29004789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).