4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide

C18H17ClF3NO2 — CID 3111284

IUPAC4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO2/c1-12-10-14(19)7-8-16(12)25-9-3-6-17(24)23-15-5-2-4-13(11-15)18(20,21)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,23,24)
InChIKeyPDHBCOCXPWNRQD-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.46
Rot. Bonds6

About 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide

4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 3111284) has the molecular formula C18H17ClF3NO2 and a molecular weight of 371.79 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID3111284
Molecular FormulaC18H17ClF3NO2
Molecular Weight371.79 g/mol
Exact Mass371.09
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO2/c1-12-10-14(19)7-8-16(12)25-9-3-6-17(24)23-15-5-2-4-13(11-15)18(20,21)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,23,24)
InChIKeyPDHBCOCXPWNRQD-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide 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 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide (CID 3111284) is 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide is Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is PDHBCOCXPWNRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO2/c1-12-10-14(19)7-8-16(12)25-9-3-6-17(24)23-15-5-2-4-13(11-15)18(20,21)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,23,24).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide?
4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 371.79 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 3111284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).