N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide

C19H18ClF3N2O3 — CID 88726575

IUPACN-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C(=O)N(Oc1ccc(C(F)(F)F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C19H18ClF3N2O3/c1-12(2)17(26)24(3)18(27)25(13-7-5-4-6-8-13)28-14-9-10-15(16(20)11-14)19(21,22)23/h4-12H,1-3H3
InChIKeyGOJREHRZRNEOHN-UHFFFAOYSA-N
MW414.81 g/mol
LogP5.39
Rot. Bonds4

About N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide

N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide (PubChem CID 88726575) has the molecular formula C19H18ClF3N2O3 and a molecular weight of 414.81 g/mol. Its IUPAC name is N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide
PubChem CID88726575
Molecular FormulaC19H18ClF3N2O3
Molecular Weight414.81 g/mol
Exact Mass414.10
IUPAC NameN-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C(=O)N(Oc1ccc(C(F)(F)F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C19H18ClF3N2O3/c1-12(2)17(26)24(3)18(27)25(13-7-5-4-6-8-13)28-14-9-10-15(16(20)11-14)19(21,22)23/h4-12H,1-3H3
InChIKeyGOJREHRZRNEOHN-UHFFFAOYSA-N
XLogP5.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.81
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide 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-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide (CID 88726575) is N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)C(=O)N(Oc1ccc(C(F)(F)F)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide?
The InChIKey is GOJREHRZRNEOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3/c1-12(2)17(26)24(3)18(27)25(13-7-5-4-6-8-13)28-14-9-10-15(16(20)11-14)19(21,22)23/h4-12H,1-3H3.
What are the key properties of N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide?
N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide has a molecular weight of 414.81 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(trifluoromethyl)phenoxy]-phenylcarbamoyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 88726575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).