N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide

C17H17F2NO3 — CID 112793225

IUPACN-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2NO3/c18-17(19)23-15-10-8-13(9-11-15)20-16(21)7-4-12-22-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12H2,(H,20,21)
InChIKeyTTYPMTFHXCZAAU-UHFFFAOYSA-N
MW321.32 g/mol
LogP4.09
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide

N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide (PubChem CID 112793225) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
PubChem CID112793225
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2NO3/c18-17(19)23-15-10-8-13(9-11-15)20-16(21)7-4-12-22-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12H2,(H,20,21)
InChIKeyTTYPMTFHXCZAAU-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide 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

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185737
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
1-[4-(difluoromethoxy)phenyl]-3-(3-phenoxypropyl)thiourea
CID 9238435
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148015
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide (CID 112793225) is N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide?
The InChIKey is TTYPMTFHXCZAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c18-17(19)23-15-10-8-13(9-11-15)20-16(21)7-4-12-22-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12H2,(H,20,21).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide?
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide has a molecular weight of 321.32 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 112793225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).