N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

C14H17F4NO2 — CID 842473

IUPACN-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCC(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C14H17F4NO2/c1-9(2)19-12(20)11-5-3-10(4-6-11)7-21-8-14(17,18)13(15)16/h3-6,9,13H,7-8H2,1-2H3,(H,19,20)
InChIKeyPMQMUWWEPXEURZ-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.24
Rot. Bonds7

About N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (PubChem CID 842473) has the molecular formula C14H17F4NO2 and a molecular weight of 307.29 g/mol. Its IUPAC name is N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
PubChem CID842473
Molecular FormulaC14H17F4NO2
Molecular Weight307.29 g/mol
Exact Mass307.12
IUPAC NameN-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCC(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C14H17F4NO2/c1-9(2)19-12(20)11-5-3-10(4-6-11)7-21-8-14(17,18)13(15)16/h3-6,9,13H,7-8H2,1-2H3,(H,19,20)
InChIKeyPMQMUWWEPXEURZ-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The IUPAC name of N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (CID 842473) is N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.
What is the SMILES notation for N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The canonical SMILES for N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is CC(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1.
What is the InChIKey of N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The InChIKey is PMQMUWWEPXEURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO2/c1-9(2)19-12(20)11-5-3-10(4-6-11)7-21-8-14(17,18)13(15)16/h3-6,9,13H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide has a molecular weight of 307.29 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is sourced from PubChem (CID 842473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).